A0A087YNN2_POEFO Loading...

U8 snoRNA-decapping enzyme

AlphaFold DB , UniProt , Accession A0A087YNN2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 218 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.9Very low77Confident220 Ų22082.9 Ų82.9100%1.08448%0.478SS*.  0110.90-62.6-86.2-99.300106.5
2A45.6Very low78.3Confident77 Ų7781.7 Ų81.764%0.63647%0.468SS*.  trans-66.1141.7171.900000108.4G4A2-G4 PolarHBondContact O-N 3.23Å
3S52.2Low79.5Confident128 Ų12886.8 Ų86.890%0.89549%0.485SS*.THydrogen-bonded Turntrans-59.6123.7-17654.80000111.3
4G69.7Low80.1Confident37 Ų3783.2 Ų83.238%0.38147%0.468SS..THydrogen-bonded Turntrans106.83.9170.800000116.8A2 C94 F95A2-G4 PolarHBondContact O-N 3.23Å; G4-C94 VanDerWaalsContact O-CA 3.22Å; G4-C94 WeakPolarHBondContact O-CA 3.39Å; G4-C94 WeakPolarHBondContact O-CB 3.45Å; G4-F95 PolarHBondContact O-N 2.74Å
5Q81.3Confident80.1Confident96 Ų9685.8 Ų85.845%0.44949%0.487SS..EExtended strand (participates in β ladder)trans-74.8141.7171.8-163.6174.5-2.700110.9S93Q5-S93 WeakPolarHBondContact CA-O 3.27Å
6M91.2Very high80.3Confident32 Ų3287.5 Ų87.516%0.15850%0.504CS..EExtended strand (participates in β ladder)trans-141163.6177.467.9-168.173.700110.5E10 A11 S93 F95 I110M6-E10 HydrophobicContact CB-CB 4.36Å; M6-A11 HydrophobicContact CG-CB 3.99Å; M6-A11 HydrophobicContact SD-CB 3.68Å; M6-S93 PolarHBondContact N-O 3.1Å; M6-F95 HydrophobicContact CE-CB 4.47Å; M6-F95 HydrophobicContact CE-CD1 4.08Å; M6-F95 HydrophobicContact CE-CD2 3.21Å; M6-F95 HydrophobicContact CE-CE1 4.06Å; M6-F95 HydrophobicContact CE-CE2 3.19Å; M6-F95 HydrophobicContact CE-CG 3.67Å; M6-F95 HydrophobicContact CE-CZ 3.63Å; M6-F95 HydrophobicContact SD-CE2 4.46Å; M6-I110 HydrophobicContact SD-CD1 4.13Å; M6-I110 HydrophobicContact SD-CG2 4.47Å
7S91.8Very high80.9Confident53 Ų5383.5 Ų83.537%0.37148%0.482SS..  trans-69.8160.5170.968.60000111.5D9 E10 A11S7-D9 VanDerWaalsContact C-N 3.28Å; S7-D9 PolarHBondContact O-N 3.26Å; S7-E10 WeakPolarHBondContact CB-OE2 3.24Å; S7-E10 PolarHBondContact N-OE2 3.34Å; S7-E10 VanDerWaalsContact OG-CB 3.31Å; S7-E10 WeakPolarHBondContact OG-CB 3.31Å; S7-E10 WeakPolarHBondContact OG-CG 3.4Å; S7-E10 PolarHBondContact OG-N 2.98Å; S7-E10 PolarHBondContact OG-OE2 3.42Å; S7-A11 WeakPolarHBondContact O-CB 3.44Å; S7-A11 PolarHBondContact O-N 3.23Å
8R93.4Very high81.6Confident50 Ų5085.1 Ų85.119%0.18948%0.479CS..Hα-helixtrans-61.7-37.8177-173.8178.9176.9-74.20.1111.7A11 L12 L67 E68R8-A11 WeakPolarHBondContact O-CB 3.41Å; R8-A11 PolarHBondContact O-N 3.46Å; R8-L12 HydrophobicContact CG-CD1 4.32Å; R8-L12 WeakPolarHBondContact O-CG 3.4Å; R8-L12 PolarHBondContact O-N 3.28Å; R8-L12 VanDerWaalsContact O-N 3.09Å; R8-L67 HydrophobicContact CG-CD1 4.42Å; R8-E68 IonicContact CZ-OE1 3.03Å; R8-E68 IonicContact NE-OE1 3.53Å; R8-E68 PolarHBondContact NE-OE1 2.68Å; R8-E68 IonicContact NH2-OE1 3.29Å; R8-E68 PolarHBondContact NH2-OE1 3.45Å; R8-E68 IonicContact NH2-OE2 2.84Å; R8-E68 PolarHBondContact NH2-OE2 3.16Å
9D93Very high82.4Confident106 Ų10681.1 Ų81.157%0.56746%0.456SS*.Hα-helixtrans-71.6-46.1-179-61.6-23.7000110.8S7 A11 L12 E13S7-D9 VanDerWaalsContact C-N 3.28Å; S7-D9 PolarHBondContact O-N 3.26Å; D9-A11 PolarHBondContact O-N 3.18Å; D9-L12 PolarHBondContact O-N 2.64Å; D9-L12 VanDerWaalsContact O-N 3.1Å; D9-E13 WeakPolarHBondContact O-CG 3.44Å; D9-E13 PolarHBondContact O-N 3.49Å
10E93.1Very high83.1Confident113 Ų11377.2 Ų77.253%0.52843%0.434SS..Hα-helixtrans-57.8-37.5172.8-72.4164.9145.600112M6 S7 E13 C14M6-E10 HydrophobicContact CB-CB 4.36Å; S7-E10 WeakPolarHBondContact CB-OE2 3.24Å; S7-E10 PolarHBondContact N-OE2 3.34Å; S7-E10 VanDerWaalsContact OG-CB 3.31Å; S7-E10 WeakPolarHBondContact OG-CB 3.31Å; S7-E10 WeakPolarHBondContact OG-CG 3.4Å; S7-E10 PolarHBondContact OG-N 2.98Å; S7-E10 PolarHBondContact OG-OE2 3.42Å; E10-E13 PolarHBondContact O-N 2.93Å; E10-C14 PolarHBondContact O-N 2.99Å
11A93.4Very high83.9Confident0 Ų073.5 Ų73.50%041%0.414CS..Hα-helixtrans-63-46176.200000111.8M6 S7 R8 D9 E13 C14 H19 I110M6-A11 HydrophobicContact CG-CB 3.99Å; M6-A11 HydrophobicContact SD-CB 3.68Å; S7-A11 WeakPolarHBondContact O-CB 3.44Å; S7-A11 PolarHBondContact O-N 3.23Å; R8-A11 WeakPolarHBondContact O-CB 3.41Å; R8-A11 PolarHBondContact O-N 3.46Å; D9-A11 PolarHBondContact O-N 3.18Å; A11-E13 VanDerWaalsContact C-N 3.29Å; A11-E13 PolarHBondContact O-N 3.31Å; A11-C14 WeakPolarHBondContact O-CB 3.47Å; A11-C14 PolarHBondContact O-N 3.3Å; A11-C14 VanDerWaalsContact O-N 3.13Å; A11-H19 PolarHBondContact O-CE1 3.15Å; A11-I110 HydrophobicContact CB-CD1 4.27Å; A11-I110 HydrophobicContact CB-CG2 4.02Å; A11-I110 WeakPolarHBondContact O-CD1 3.42Å
12L93.6Very high86.6Confident68 Ų6864.4 Ų64.436%0.35637%0.368SS..Hα-helixtrans-70.7-25-179.4-71.3171.2000112.9R8 D9 C14 P62 L67R8-L12 HydrophobicContact CG-CD1 4.32Å; R8-L12 WeakPolarHBondContact O-CG 3.4Å; R8-L12 PolarHBondContact O-N 3.28Å; R8-L12 VanDerWaalsContact O-N 3.09Å; D9-L12 PolarHBondContact O-N 2.64Å; D9-L12 VanDerWaalsContact O-N 3.1Å; L12-C14 VanDerWaalsContact C-N 3.25Å; L12-C14 PolarHBondContact O-N 3.38Å; L12-P62 HydrophobicContact CD2-CB 4.1Å; L12-P62 HydrophobicContact CD2-CG 4.29Å; L12-L67 HydrophobicContact CD2-CD1 4.06Å; L12-L67 HydrophobicContact CD2-CD2 4.18Å; L12-L67 HydrophobicContact CD2-CG 4.09Å; L12-L67 HydrophobicContact CG-CD1 4.5Å
13E92.8Very high89.1Confident149 Ų14960.7 Ų60.770%0.69634%0.338SS*.THydrogen-bonded Turntrans-73.9-13.2171.5-71178.217800113D9 E10 A11 T15D9-E13 WeakPolarHBondContact O-CG 3.44Å; D9-E13 PolarHBondContact O-N 3.49Å; E10-E13 PolarHBondContact O-N 2.93Å; A11-E13 VanDerWaalsContact C-N 3.29Å; A11-E13 PolarHBondContact O-N 3.31Å; E13-T15 PolarHBondContact O-N 3.19Å
14C88.1Confident91.3Very high36 Ų3654.6 Ų54.624%0.24330%0.295CS..  trans-6899.5178.5-175.80000112E10 A11 L12 C17 I110E10-C14 PolarHBondContact O-N 2.99Å; A11-C14 WeakPolarHBondContact O-CB 3.47Å; A11-C14 PolarHBondContact O-N 3.3Å; A11-C14 VanDerWaalsContact O-N 3.13Å; L12-C14 VanDerWaalsContact C-N 3.25Å; L12-C14 PolarHBondContact O-N 3.38Å; C14-C17 HydrophobicContact CB-CB 3.77Å; C14-C17 WeakPolarHBondContact CB-SG 3.46Å; C14-C17 WeakPolarHBondContact SG-CB 3.24Å; C14-C17 CovalentContact SG-SG 2.06Å; C14-C17 PolarHBondContact SG-SG 3.44Å; C14-I110 HydrophobicContact CB-CD1 3.57Å
15T79.8Confident92.7Very high122 Ų12252.9 Ų52.975%0.74828%0.277SS*.THydrogen-bonded Turntrans-68.9140.3168.960.60000110.9E13 C17E13-T15 PolarHBondContact O-N 3.19Å; T15-C17 VanDerWaalsContact C-N 3.28Å; T15-C17 PolarHBondContact O-N 3.02Å
16C83.9Confident93.5Very high113 Ų11349.6 Ų49.676%0.76426%0.261SS*.THydrogen-bonded Turntrans68.619.3-179.3-51.50000115.2S107C16-S107 WeakPolarHBondContact O-CA 3.26Å; C16-S107 WeakPolarHBondContact O-CB 3.3Å
17C90.6Very high93.9Very high20 Ų2048.1 Ų48.114%0.13525%0.254CS..  trans-94.2145.5168.5-78.70000111.1C14 T15 R108 I110C14-C17 HydrophobicContact CB-CB 3.77Å; C14-C17 WeakPolarHBondContact CB-SG 3.46Å; C14-C17 WeakPolarHBondContact SG-CB 3.24Å; C14-C17 CovalentContact SG-SG 2.06Å; C14-C17 PolarHBondContact SG-SG 3.44Å; T15-C17 VanDerWaalsContact C-N 3.28Å; T15-C17 PolarHBondContact O-N 3.02Å; C17-R108 CarbonylContact C-O 3.55Å; C17-R108 VanDerWaalsContact CA-O 3.23Å; C17-R108 WeakPolarHBondContact CA-O 3.28Å; C17-I110 HydrophobicContact CB-CD1 3.73Å; C17-I110 HydrophobicContact CB-CG1 4.03Å; C17-I110 VanDerWaalsContact SG-CD1 3.51Å
18R94Very high94.2Very high111 Ų11150.6 Ų50.642%0.41926%0.259SS..EExtended strand (participates in β ladder)trans-90149.5161.8-74.2179.8-64.71603.6108.7F59 S107 R108 L109 I110R18-F59 HydrophobicContact CB-CE1 4.43Å; R18-S107 WeakPolarHBondContact CG-OG 3.35Å; R18-S107 PolarHBondContact NE-OG 2.85Å; R18-R108 PolarHBondContact N-O 2.93Å; R18-L109 HydrophobicContact CB-CD1 4.04Å; R18-L109 CarbonylContact O-C 3.39Å; R18-L109 WeakPolarHBondContact O-CA 3.3Å; R18-L109 WeakPolarHBondContact O-CD1 3.32Å; R18-I110 PolarHBondContact O-N 2.89Å
19H96.2Very high94.4Very high9 Ų948.9 Ų48.94%0.04225%0.254CS..EExtended strand (participates in β ladder)trans-119.8137.6-178.7-64.5-104.5000109.6A11 F59 V60 P62 L67 I110 H112A11-H19 PolarHBondContact O-CE1 3.15Å; H19-F59 WeakPolarHBondContact O-CA 3.18Å; H19-F59 WeakPolarHBondContact O-CD1 3.36Å; H19-V60 PolarHBondContact O-N 2.99Å; H19-P62 HydrophobicContact CB-CG 3.99Å; H19-L67 HydrophobicContact CB-CD2 4.49Å; H19-I110 WeakPolarHBondContact CA-O 3.4Å; H19-H112 AromaticContact CE1-NE2 3.82Å; H19-H112 AromaticContact CG-NE2 3.83Å; H19-H112 AromaticContact ND1-CD2 3.83Å; H19-H112 AromaticContact ND1-CE1 3.83Å; H19-H112 AromaticContact ND1-NE2 2.87Å; H19-H112 PolarHBondContact ND1-NE2 3.4Å
20A97.4Very high94.7Very high3 Ų348.3 Ų48.33%0.02526%0.264CS..EExtended strand (participates in β ladder)trans-131.1139.5167.200000109.6G58 F59 L109 I110 L111 H112A20-G58 CarbonylContact C-O 3.53Å; A20-G58 WeakPolarHBondContact CA-O 3.48Å; A20-G58 WeakPolarHBondContact CB-O 3.31Å; A20-F59 HydrophobicContact CB-CD1 4.13Å; A20-F59 HydrophobicContact CB-CE1 4.41Å; A20-L109 HydrophobicContact CB-CD1 4.12Å; A20-I110 PolarHBondContact N-O 2.96Å; A20-L111 HydrophobicContact CB-CD2 4Å; A20-L111 WeakPolarHBondContact O-CA 3.38Å; A20-H112 PolarHBondContact O-N 3.42Å
21C98.3Very high94.9Very high0 Ų044.9 Ų44.90%025%0.253CS..EExtended strand (participates in β ladder)trans-115.6134179.8-63.90000109G57 G58 V60 L71 H112 Y114C21-G57 CarbonylContact O-C 3.52Å; C21-G57 WeakPolarHBondContact O-CA 3.15Å; C21-G58 PolarHBondContact N-O 2.95Å; C21-G58 PolarHBondContact O-N 3.31Å; C21-V60 HydrophobicContact CB-CG2 4.01Å; C21-L71 HydrophobicContact CB-CB 3.82Å; C21-L71 HydrophobicContact CB-CD1 3.96Å; C21-L71 HydrophobicContact CB-CD2 4.14Å; C21-L71 HydrophobicContact CB-CG 4.19Å; C21-H112 WeakPolarHBondContact CA-O 3.34Å; C21-H112 HydrophobicContact CB-CB 4.48Å; C21-Y114 HydrophobicContact CB-CE2 4.07Å
22H98.6Very high95.1Very high29 Ų2949.9 Ų49.913%0.13428%0.276CS..EExtended strand (participates in β ladder)trans-134.7156.5172.8-51.679.9000110.3F55 P56 H112 F113 Y114H22-F55 HydrophobicContact CB-CB 3.88Å; H22-F55 PolarHBondContact CD2-O 2.91Å; H22-P56 CarbonylContact C-O 3.44Å; H22-P56 VanDerWaalsContact CA-O 3.23Å; H22-P56 WeakPolarHBondContact CA-O 3.43Å; H22-P56 WeakPolarHBondContact CB-O 3.19Å; H22-H112 PolarHBondContact N-O 2.92Å; H22-F113 HydrophobicContact CB-CD2 4.15Å; H22-F113 HydrophobicContact CB-CE2 4.33Å; H22-F113 WeakPolarHBondContact O-CA 3.35Å; H22-F113 WeakPolarHBondContact O-CD2 3.33Å; H22-Y114 PolarHBondContact O-N 3.44Å
23V98.8Very high95.2Very high0 Ų048.4 Ų48.40%027%0.269CS..EExtended strand (participates in β ladder)trans-130.1137.4-17766.90000112.8L25 P56 L71 L75 Y114 K116V23-L25 HydrophobicContact CB-CD2 4.41Å; V23-L25 HydrophobicContact CG1-CD2 3.87Å; V23-L25 HydrophobicContact CG1-CG 4.01Å; V23-L25 HydrophobicContact CG2-CD2 3.63Å; V23-L25 HydrophobicContact CG2-CG 4.41Å; V23-P56 PolarHBondContact N-O 3.35Å; V23-L71 HydrophobicContact CB-CD2 4.33Å; V23-L75 HydrophobicContact CG1-CD1 3.78Å; V23-L75 HydrophobicContact CG1-CD2 3.59Å; V23-L75 HydrophobicContact CG1-CG 4.3Å; V23-Y114 CarbonylContact C-O 3.46Å; V23-Y114 WeakPolarHBondContact CA-O 3.46Å; V23-K116 HydrophobicContact CG2-CB 4.21Å
24L98.8Very high95.4Very high0 Ų048.8 Ų48.80%027%0.268CS..EExtended strand (participates in β ladder)trans-89.1112.1162.8-171.7155.6000109.2Y26 V43 F55 F113 Y114 V115 K116 L174L24-Y26 HydrophobicContact CD2-CD1 3.73Å; L24-Y26 HydrophobicContact CD2-CG 4.02Å; L24-V43 HydrophobicContact CD1-CG1 4.01Å; L24-V43 HydrophobicContact CD2-CG1 3.98Å; L24-V43 HydrophobicContact CG-CG1 3.81Å; L24-F55 HydrophobicContact CB-CD1 4.2Å; L24-F55 HydrophobicContact CB-CE1 3.88Å; L24-F55 HydrophobicContact CB-CZ 4.41Å; L24-F55 HydrophobicContact CD1-CE1 3.81Å; L24-F55 HydrophobicContact CD1-CZ 3.84Å; L24-F55 HydrophobicContact CG-CD1 4.48Å; L24-F55 HydrophobicContact CG-CE1 3.76Å; L24-F55 HydrophobicContact CG-CZ 4.29Å; L24-F113 HydrophobicContact CB-CE1 4.16Å; L24-F113 HydrophobicContact CB-CZ 3.72Å; L24-F113 HydrophobicContact CD1-CZ 4.48Å; L24-Y114 PolarHBondContact N-O 3.17Å; L24-V115 HydrophobicContact CB-CG2 4.13Å; L24-V115 HydrophobicContact CD2-CG1 4.39Å; L24-V115 WeakPolarHBondContact O-CA 3.44Å; L24-K116 PolarHBondContact O-N 2.81Å; L24-L174 HydrophobicContact CD1-CD1 4.33Å
25L98.8Very high95.8Very high0 Ų050 Ų500%029%0.287CS..EExtended strand (participates in β ladder)trans-94.7129170.8-53.9-179.3000109.3V23 L44 L79 V83 K116 M118 I123 I126V23-L25 HydrophobicContact CB-CD2 4.41Å; V23-L25 HydrophobicContact CG1-CD2 3.87Å; V23-L25 HydrophobicContact CG1-CG 4.01Å; V23-L25 HydrophobicContact CG2-CD2 3.63Å; V23-L25 HydrophobicContact CG2-CG 4.41Å; L25-L44 HydrophobicContact CB-CB 4.46Å; L25-L44 HydrophobicContact CB-CD1 4.38Å; L25-L44 PolarHBondContact O-N 3.35Å; L25-L79 HydrophobicContact CD1-CD1 3.87Å; L25-V83 HydrophobicContact CD1-CG1 4.31Å; L25-V83 HydrophobicContact CD1-CG2 4.37Å; L25-V83 HydrophobicContact CD2-CG1 3.98Å; L25-K116 HydrophobicContact CD2-CB 3.86Å; L25-K116 HydrophobicContact CD2-CD 4.48Å; L25-M118 HydrophobicContact CB-SD 4.36Å; L25-M118 HydrophobicContact CD1-SD 4.26Å; L25-M118 HydrophobicContact CD2-SD 3.98Å; L25-M118 HydrophobicContact CG-SD 4.43Å; L25-I123 HydrophobicContact CB-CD1 3.99Å; L25-I126 HydrophobicContact CD1-CD1 3.93Å
26Y98.8Very high96.6Very high28 Ų2853.3 Ų53.311%0.1129%0.286CS..EExtended strand (participates in β ladder)trans-144.6156.817979.3-73.4000113.8L24 I42 V115 K116 K117 M118 L181 L183L24-Y26 HydrophobicContact CD2-CD1 3.73Å; L24-Y26 HydrophobicContact CD2-CG 4.02Å; Y26-I42 CarbonylContact C-O 3.59Å; Y26-I42 WeakPolarHBondContact CA-O 3.49Å; Y26-I42 WeakPolarHBondContact CB-O 3.4Å; Y26-V115 HydrophobicContact CD1-CG1 4.13Å; Y26-V115 HydrophobicContact CE1-CG1 3.73Å; Y26-K116 VanDerWaalsContact CD1-O 3.31Å; Y26-K116 WeakPolarHBondContact CD1-O 3.33Å; Y26-K116 PolarHBondContact N-O 2.76Å; Y26-K116 VanDerWaalsContact N-O 3.07Å; Y26-K117 HydrophobicContact CD1-CB 4.33Å; Y26-K117 HydrophobicContact CD2-CG 4.44Å; Y26-K117 HydrophobicContact CE1-CB 3.61Å; Y26-K117 HydrophobicContact CE1-CG 4.15Å; Y26-K117 HydrophobicContact CE2-CB 4.24Å; Y26-K117 HydrophobicContact CE2-CD 4.17Å; Y26-K117 HydrophobicContact CE2-CG 3.88Å; Y26-K117 CarbonylContact O-C 3.56Å; Y26-K117 WeakPolarHBondContact O-CA 3.34Å; Y26-M118 PolarHBondContact O-N 2.93Å; Y26-L181 HydrophobicContact CD1-CD1 4.25Å; Y26-L181 HydrophobicContact CE1-CD1 3.82Å; Y26-L181 HydrophobicContact CE2-CD1 4.4Å; Y26-L183 HydrophobicContact CD2-CD1 4.05Å; Y26-L183 HydrophobicContact CD2-CD2 4.16Å; Y26-L183 HydrophobicContact CE2-CD1 4.5Å; Y26-L183 HydrophobicContact CE2-CD2 4Å; Y26-L183 HydrophobicContact CG-CD1 4.47Å
27S98.7Very high97.2Very high0 Ų049.7 Ų49.70%026%0.258CS..EExtended strand (participates in β ladder)trans-139.6161.6172.876.70000111.1Y41 I42 M118S27-Y41 CarbonylContact O-C 3.58Å; S27-Y41 WeakPolarHBondContact O-CA 3.43Å; S27-Y41 WeakPolarHBondContact O-CB 3.27Å; S27-I42 PolarHBondContact N-O 3.01Å; S27-I42 PolarHBondContact O-N 3.38Å; S27-M118 WeakPolarHBondContact CA-O 3.29Å; S27-M118 WeakPolarHBondContact CB-O 3.21Å
28E98.4Very high97.5Very high105 Ų10552.2 Ų52.249%0.49128%0.275SS..EExtended strand (participates in β ladder)trans-72.4155.1159.9-78166.2-149.800109.8Y41 K117E28-Y41 HydrophobicContact CB-CD1 4.45Å; E28-Y41 HydrophobicContact CG-CD1 3.7Å; E28-Y41 HydrophobicContact CG-CE1 3.44Å; E28-Y41 VanDerWaalsContact CG-CE1 3.44Å; E28-K117 IonicContact OE1-NZ 3.53Å; E28-K117 PolarHBondContact OE1-NZ 3.03Å
29T98.3Very high97.6Very high14 Ų1448.5 Ų48.59%0.08626%0.263CS..EExtended strand (participates in β ladder)trans-149140.4170.2-173.10000111.8S31 I39 R40 I42 E120T29-S31 VanDerWaalsContact OG1-CB 3.25Å; T29-S31 WeakPolarHBondContact OG1-CB 3.28Å; T29-S31 PolarHBondContact OG1-N 3.43Å; T29-S31 VanDerWaalsContact OG1-N 3.09Å; T29-S31 PolarHBondContact OG1-OG 3.2Å; T29-I39 HydrophobicContact CG2-CB 3.96Å; T29-I39 HydrophobicContact CG2-CG2 3.78Å; T29-R40 PolarHBondContact N-O 3.4Å; T29-I42 HydrophobicContact CG2-CD1 4.19Å; T29-I42 HydrophobicContact CG2-CG1 3.84Å; T29-E120 VanDerWaalsContact CA-OE2 3.28Å; T29-E120 WeakPolarHBondContact CA-OE2 3.24Å; T29-E120 WeakPolarHBondContact CB-OE2 3.47Å; T29-E120 PolarHBondContact OG1-OE1 2.9Å; T29-E120 VanDerWaalsContact OG1-OE1 3.04Å; T29-E120 PolarHBondContact OG1-OE2 3.05Å
30A97.7Very high97.7Very high94 Ų9453.9 Ų53.978%0.77728%0.283SS*.EExtended strand (participates in β ladder)trans-83.1-2.5169.800000112.8
31S97.2Very high97.7Very high41 Ų4155.8 Ų55.829%0.28729%0.29SS..EExtended strand (participates in β ladder)trans-61.8145.9-176-63.70000112.5T29 I39T29-S31 VanDerWaalsContact OG1-CB 3.25Å; T29-S31 WeakPolarHBondContact OG1-CB 3.28Å; T29-S31 PolarHBondContact OG1-N 3.43Å; T29-S31 VanDerWaalsContact OG1-N 3.09Å; T29-S31 PolarHBondContact OG1-OG 3.2Å; S31-I39 WeakPolarHBondContact O-CB 3.24Å; S31-I39 PolarHBondContact O-N 3.08Å
32Q97.9Very high97.8Very high105 Ų10555.9 Ų55.949%0.49129%0.29SS..EExtended strand (participates in β ladder)trans-126.6129.8179-57.3-174.113.100110.8F34 G35 I37Q32-F34 PolarHBondContact O-N 3.42Å; Q32-G35 PolarHBondContact O-N 2.99Å; Q32-G35 PolarHBondContact OE1-O 2.89Å; Q32-G35 VanDerWaalsContact OE1-O 3.08Å; Q32-I37 CarbonylContact C-O 3.46Å; Q32-I37 VanDerWaalsContact CA-O 3.26Å; Q32-I37 WeakPolarHBondContact CA-O 3.35Å
33L97.1Very high97.8Very high38 Ų3854.5 Ų54.520%0.19928%0.284CS..EExtended strand (participates in β ladder)trans-69.9129.8168.9-179.875000109.4G35 R36 I37 I39 Y150L33-G35 PolarHBondContact O-N 3.18Å; L33-G35 VanDerWaalsContact O-N 3.1Å; L33-R36 PolarHBondContact O-N 3.3Å; L33-I37 HydrophobicContact CB-CB 4.2Å; L33-I37 HydrophobicContact CD2-CD1 4.4Å; L33-I37 PolarHBondContact N-O 2.69Å; L33-I37 PolarHBondContact O-N 3.28Å; L33-I39 HydrophobicContact CB-CG1 4.42Å; L33-Y150 HydrophobicContact CB-CE1 4.49Å; L33-Y150 HydrophobicContact CD2-CD2 4.14Å; L33-Y150 HydrophobicContact CD2-CE1 4.26Å; L33-Y150 HydrophobicContact CD2-CE2 3.52Å
34F96.1Very high97.8Very high157 Ų15754.5 Ų54.569%0.68928%0.284SS*.THydrogen-bonded Turntrans52.827.7-176.4-49.8-50.5000113.9Q32 R36Q32-F34 PolarHBondContact O-N 3.42Å; F34-R36 PolarHBondContact O-N 3.39Å; F34-R36 VanDerWaalsContact O-N 3.15Å
35G96.4Very high97.8Very high62 Ų6254.5 Ų54.564%0.63928%0.284SS*.THydrogen-bonded Turntrans62.817.9-179.800000115Q32 L33Q32-G35 PolarHBondContact O-N 2.99Å; Q32-G35 PolarHBondContact OE1-O 2.89Å; Q32-G35 VanDerWaalsContact OE1-O 3.08Å; L33-G35 PolarHBondContact O-N 3.18Å; L33-G35 VanDerWaalsContact O-N 3.1Å
36R96.2Very high97.8Very high191 Ų19154.5 Ų54.572%0.72128%0.284SS*.THydrogen-bonded Turntrans-148.1-21.2-176.870.6-171.9176.8174.7-5116.1L33 F34 P38L33-R36 PolarHBondContact O-N 3.3Å; F34-R36 PolarHBondContact O-N 3.39Å; F34-R36 VanDerWaalsContact O-N 3.15Å; R36-P38 WeakPolarHBondContact O-CD 3.43Å
37I96.6Very high97.8Very high36 Ų3655.9 Ų55.919%0.18529%0.292CS..EExtended strand (participates in β ladder)trans-103109.6179.1-58.9174.4000107.6Q32 L33 I39 Y150 T152Q32-I37 CarbonylContact C-O 3.46Å; Q32-I37 VanDerWaalsContact CA-O 3.26Å; Q32-I37 WeakPolarHBondContact CA-O 3.35Å; L33-I37 HydrophobicContact CB-CB 4.2Å; L33-I37 HydrophobicContact CD2-CD1 4.4Å; L33-I37 PolarHBondContact N-O 2.69Å; L33-I37 PolarHBondContact O-N 3.28Å; I37-I39 PolarHBondContact O-N 2.88Å; I37-Y150 HydrophobicContact CG2-CD2 4.45Å; I37-Y150 HydrophobicContact CG2-CG 4.1Å; I37-T152 HydrophobicContact CD1-CG2 4.29Å
38P96.9Very high97.7Very high73 Ų7357.7 Ų57.747%0.47430%0.299SS..EExtended strand (participates in β ladder)trans-62.4130.7179.1-22.134000111.8R36 R40R36-P38 WeakPolarHBondContact O-CD 3.43Å; P38-R40 HydrophobicContact CB-CG 3.95Å
39I97.3Very high97.7Very high34 Ų3458.3 Ų58.317%0.17430%0.3CS..EExtended strand (participates in β ladder)trans-80.3-36174.6-63.9175.1000110.5T29 S31 L33 I37 Y41 Y150T29-I39 HydrophobicContact CG2-CB 3.96Å; T29-I39 HydrophobicContact CG2-CG2 3.78Å; S31-I39 WeakPolarHBondContact O-CB 3.24Å; S31-I39 PolarHBondContact O-N 3.08Å; L33-I39 HydrophobicContact CB-CG1 4.42Å; I37-I39 PolarHBondContact O-N 2.88Å; I39-Y41 WeakPolarHBondContact CG2-O 3.45Å; I39-Y41 PolarHBondContact O-N 2.99Å; I39-Y150 HydrophobicContact CG1-CD1 4.1Å; I39-Y150 HydrophobicContact CG1-CE1 4.17Å
40R97Very high97.7Very high121 Ų12160.5 Ų60.546%0.45731%0.311SS..EExtended strand (participates in β ladder)trans68.6-50.8176.7-52.5174.960.6-152.5-6.7114.9T29 P38T29-R40 PolarHBondContact N-O 3.4Å; P38-R40 HydrophobicContact CB-CG 3.95Å
41Y98.6Very high97.6Very high44 Ų4458.1 Ų58.117%0.17330%0.295CS..EExtended strand (participates in β ladder)trans-138.9148.9179.1-51.5-86.6000111.5S27 E28 I39 L149 L183S27-Y41 CarbonylContact O-C 3.58Å; S27-Y41 WeakPolarHBondContact O-CA 3.43Å; S27-Y41 WeakPolarHBondContact O-CB 3.27Å; E28-Y41 HydrophobicContact CB-CD1 4.45Å; E28-Y41 HydrophobicContact CG-CD1 3.7Å; E28-Y41 HydrophobicContact CG-CE1 3.44Å; E28-Y41 VanDerWaalsContact CG-CE1 3.44Å; I39-Y41 WeakPolarHBondContact CG2-O 3.45Å; I39-Y41 PolarHBondContact O-N 2.99Å; Y41-L149 HydrophobicContact CD2-CD1 4.34Å; Y41-L183 HydrophobicContact CD1-CD2 3.69Å; Y41-L183 HydrophobicContact CD2-CB 3.99Å; Y41-L183 HydrophobicContact CD2-CD2 4.02Å; Y41-L183 HydrophobicContact CE1-CD2 3.72Å; Y41-L183 HydrophobicContact CE2-CB 4.29Å; Y41-L183 HydrophobicContact CE2-CD2 4.07Å; Y41-L183 HydrophobicContact CG-CB 4.41Å; Y41-L183 HydrophobicContact CG-CD2 3.85Å
42I98.7Very high97.7Very high2 Ų258.2 Ų58.21%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-103.4131.8169-60.6159.9000106.9Y26 S27 T29 L44 E120 I123 R146Y26-I42 CarbonylContact C-O 3.59Å; Y26-I42 WeakPolarHBondContact CA-O 3.49Å; Y26-I42 WeakPolarHBondContact CB-O 3.4Å; S27-I42 PolarHBondContact N-O 3.01Å; S27-I42 PolarHBondContact O-N 3.38Å; T29-I42 HydrophobicContact CG2-CD1 4.19Å; T29-I42 HydrophobicContact CG2-CG1 3.84Å; I42-L44 HydrophobicContact CG2-CD2 4.11Å; I42-E120 HydrophobicContact CD1-CG 3.8Å; I42-I123 HydrophobicContact CB-CG2 4.49Å; I42-I123 HydrophobicContact CG2-CG2 3.72Å; I42-R146 HydrophobicContact CG2-CB 4.47Å; I42-R146 HydrophobicContact CG2-CG 3.82Å
43V98.8Very high97.7Very high0 Ų053.5 Ų53.50%027%0.271CS..EExtended strand (participates in β ladder)trans-128.1130.4171.4175.70000107.1L24 R146 V147 L149 L174 L178 L183L24-V43 HydrophobicContact CD1-CG1 4.01Å; L24-V43 HydrophobicContact CD2-CG1 3.98Å; L24-V43 HydrophobicContact CG-CG1 3.81Å; V43-R146 CarbonylContact O-C 3.6Å; V43-R146 WeakPolarHBondContact O-CA 3.27Å; V43-V147 HydrophobicContact CB-CB 4.02Å; V43-V147 HydrophobicContact CB-CG2 3.88Å; V43-V147 HydrophobicContact CG1-CB 4.42Å; V43-V147 HydrophobicContact CG1-CG2 3.76Å; V43-V147 PolarHBondContact O-N 2.78Å; V43-L149 HydrophobicContact CG2-CD1 4.19Å; V43-L174 HydrophobicContact CG1-CD1 4.12Å; V43-L178 HydrophobicContact CG2-CD2 4.47Å; V43-L183 HydrophobicContact CG2-CD1 3.98Å
44L98.8Very high97.8Very high0 Ų051.7 Ų51.70%026%0.261CS..EExtended strand (participates in β ladder)trans-94.2136.6-179.7-62.9-173000112L25 I42 I123 I126 E127 M144 R146L25-L44 HydrophobicContact CB-CB 4.46Å; L25-L44 HydrophobicContact CB-CD1 4.38Å; L25-L44 PolarHBondContact O-N 3.35Å; I42-L44 HydrophobicContact CG2-CD2 4.11Å; L44-I123 HydrophobicContact CD1-CD1 3.9Å; L44-I123 HydrophobicContact CD1-CG2 4.12Å; L44-I123 HydrophobicContact CD2-CG2 4.05Å; L44-I123 HydrophobicContact CG-CD1 4.22Å; L44-I123 HydrophobicContact CG-CG2 4.19Å; L44-I126 HydrophobicContact CD1-CG2 3.84Å; L44-E127 HydrophobicContact CD2-CG 4.11Å; L44-M144 HydrophobicContact CB-CE 3.8Å; L44-M144 HydrophobicContact CD1-CE 3.88Å; L44-M144 HydrophobicContact CG-CE 4.31Å; L44-R146 HydrophobicContact CD2-CG 4.11Å
45M98.9Very high97.9Very high0 Ų044.4 Ų44.40%023%0.229CC..EExtended strand (participates in β ladder)trans-136.8174.5165.2-67.1-164.777.700108.6G54 F55 V145 V147 F161 F166 A170 L174M45-G54 CarbonylContact C-O 3.34Å; M45-G54 WeakPolarHBondContact CA-O 3.49Å; M45-G54 WeakPolarHBondContact CB-O 3.41Å; M45-G54 WeakPolarHBondContact CE-O 3.45Å; M45-F55 HydrophobicContact CE-CD1 4.3Å; M45-F55 HydrophobicContact CE-CD2 4.09Å; M45-F55 HydrophobicContact CE-CE1 4.13Å; M45-F55 HydrophobicContact CE-CE2 3.93Å; M45-F55 HydrophobicContact CE-CG 4.29Å; M45-F55 HydrophobicContact CE-CZ 3.94Å; M45-F55 HydrophobicContact CG-CD1 3.93Å; M45-F55 HydrophobicContact CG-CE1 3.63Å; M45-F55 HydrophobicContact CG-CZ 4.23Å; M45-F55 HydrophobicContact SD-CE1 4.12Å; M45-F55 HydrophobicContact SD-CZ 4.1Å; M45-V145 HydrophobicContact CB-CG2 3.99Å; M45-V145 PolarHBondContact N-O 2.95Å; M45-V145 PolarHBondContact O-N 2.98Å; M45-V145 VanDerWaalsContact O-O 3.1Å; M45-V147 HydrophobicContact CG-CG2 3.83Å; M45-V147 HydrophobicContact SD-CG2 4Å; M45-F161 HydrophobicContact SD-CE1 3.83Å; M45-F161 HydrophobicContact SD-CZ 3.84Å; M45-F166 HydrophobicContact CE-CD1 3.83Å; M45-F166 HydrophobicContact CE-CE1 3.83Å; M45-F166 HydrophobicContact SD-CD1 4.48Å; M45-F166 HydrophobicContact SD-CE1 3.87Å; M45-A170 HydrophobicContact CE-CB 4.3Å; M45-L174 HydrophobicContact SD-CD2 3.93Å
46Q98.6Very high98Very high0 Ų041.4 Ų41.40%020%0.199CC..EExtended strand (participates in β ladder)trans-137.6147.5178.869.2-169.318.100112.7L53 G54 E78 V141 G143 M144Q46-L53 WeakPolarHBondContact O-CA 3.45Å; Q46-G54 PolarHBondContact N-O 3.22Å; Q46-G54 PolarHBondContact O-N 3.37Å; Q46-E78 PolarHBondContact NE2-OE1 3.18Å; Q46-E78 PolarHBondContact NE2-OE2 3.46Å; Q46-E78 PolarHBondContact OE1-OE2 3.15Å; Q46-V141 HydrophobicContact CB-CG1 4.05Å; Q46-V141 HydrophobicContact CG-CG1 4.4Å; Q46-G143 WeakPolarHBondContact CA-O 3.3Å; Q46-M144 HydrophobicContact CB-SD 3.68Å
47M98.7Very high98.1Very high56 Ų5632.4 Ų32.428%0.27617%0.165SC..EExtended strand (participates in β ladder)trans-78.9124.5165.2-178.360.37000108.6L53 L142 G143M47-L53 HydrophobicContact CB-CD2 4.48Å; M47-L53 HydrophobicContact CE-CD2 3.84Å; M47-L53 HydrophobicContact CE-CG 4.33Å; M47-L142 HydrophobicContact CB-CB 4.17Å; M47-L142 HydrophobicContact CG-CB 3.89Å; M47-L142 HydrophobicContact CG-CD1 4.23Å; M47-L142 PolarHBondContact O-N 2.85Å; M47-G143 PolarHBondContact N-O 2.98Å
48R98.4Very high98.1Very high38 Ų3831.2 Ų31.214%0.14316%0.161CC..EExtended strand (participates in β ladder)trans-91.1164.5179.1-67.8164.546.9747.3111.7D50 G51 L52 E140 L142R48-D50 VanDerWaalsContact CB-OD1 3.23Å; R48-D50 WeakPolarHBondContact CB-OD1 3.41Å; R48-D50 IonicContact CZ-OD2 3.37Å; R48-D50 IonicContact NE-OD1 3.31Å; R48-D50 PolarHBondContact NE-OD1 3.4Å; R48-D50 IonicContact NE-OD2 2.66Å; R48-D50 PolarHBondContact NE-OD2 2.94Å; R48-D50 IonicContact NH2-OD2 3.37Å; R48-D50 PolarHBondContact NH2-OD2 3.07Å; R48-D50 PolarHBondContact O-N 3.2Å; R48-D50 VanDerWaalsContact O-N 3.11Å; R48-G51 PolarHBondContact O-N 2.99Å; R48-L52 WeakPolarHBondContact CB-O 3.44Å; R48-L52 PolarHBondContact N-O 3Å; R48-E140 CarbonylContact C-O 3.58Å; R48-E140 WeakPolarHBondContact CA-O 3.36Å; R48-L142 WeakPolarHBondContact O-CD1 3.35Å
49F97.7Very high98.1Very high119 Ų11932.8 Ų32.852%0.52216%0.161SC..THydrogen-bonded Turntrans-53.5-29.7174.674.7-92.3000114.1G51 L139 E140F49-G51 PolarHBondContact O-N 3.43Å; F49-L139 WeakPolarHBondContact CB-O 3.46Å; F49-E140 HydrophobicContact CD1-CB 4.41Å; F49-E140 PolarHBondContact N-O 3.42Å
50D97.3Very high98.1Very high60 Ų6031.7 Ų31.732%0.32116%0.156SC..THydrogen-bonded Turntrans-83.16179.658.216.8000113.4R48 L52R48-D50 VanDerWaalsContact CB-OD1 3.23Å; R48-D50 WeakPolarHBondContact CB-OD1 3.41Å; R48-D50 IonicContact CZ-OD2 3.37Å; R48-D50 IonicContact NE-OD1 3.31Å; R48-D50 PolarHBondContact NE-OD1 3.4Å; R48-D50 IonicContact NE-OD2 2.66Å; R48-D50 PolarHBondContact NE-OD2 2.94Å; R48-D50 IonicContact NH2-OD2 3.37Å; R48-D50 PolarHBondContact NH2-OD2 3.07Å; R48-D50 PolarHBondContact O-N 3.2Å; R48-D50 VanDerWaalsContact O-N 3.11Å; D50-L52 VanDerWaalsContact C-N 3.3Å; D50-L52 PolarHBondContact O-N 3.12Å; D50-L52 WeakPolarHBondContact OD1-CB 3.36Å; D50-L52 PolarHBondContact OD1-N 2.9Å
51G97.4Very high98Very high43 Ų4328.5 Ų28.544%0.44315%0.148SC..SBendtrans76.415.5177.700000114R48 F49R48-G51 PolarHBondContact O-N 2.99Å; F49-G51 PolarHBondContact O-N 3.43Å
52L98.3Very high97.8Very high44 Ų4428.5 Ų28.523%0.2315%0.154CC..  trans-109.2146.9179.8-55.3176.8000111.4R48 D50 S165 I167R48-L52 WeakPolarHBondContact CB-O 3.44Å; R48-L52 PolarHBondContact N-O 3Å; D50-L52 VanDerWaalsContact C-N 3.3Å; D50-L52 PolarHBondContact O-N 3.12Å; D50-L52 WeakPolarHBondContact OD1-CB 3.36Å; D50-L52 PolarHBondContact OD1-N 2.9Å; L52-S165 VanDerWaalsContact CD2-CB 3.43Å; L52-I167 HydrophobicContact CB-CB 4.1Å; L52-I167 HydrophobicContact CD1-CB 4.2Å; L52-I167 HydrophobicContact CD1-CD1 3.72Å
53L98.8Very high97.5Very high5 Ų536.3 Ų36.33%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-77.3132.2170.6-67.6178000110.9Q46 M47 V145 F161 H164 S165 F166 I167Q46-L53 WeakPolarHBondContact O-CA 3.45Å; M47-L53 HydrophobicContact CB-CD2 4.48Å; M47-L53 HydrophobicContact CE-CD2 3.84Å; M47-L53 HydrophobicContact CE-CG 4.33Å; L53-V145 HydrophobicContact CD2-CG2 4.02Å; L53-F161 HydrophobicContact CD1-CE1 4.36Å; L53-F161 HydrophobicContact CD1-CE2 3.92Å; L53-F161 HydrophobicContact CD1-CZ 3.78Å; L53-H164 HydrophobicContact CD1-CB 3.5Å; L53-H164 HydrophobicContact CG-CB 4.36Å; L53-S165 PolarHBondContact N-O 3.21Å; L53-F166 HydrophobicContact CB-CD1 3.86Å; L53-F166 HydrophobicContact CB-CE1 4.03Å; L53-F166 HydrophobicContact CB-CG 4.3Å; L53-F166 HydrophobicContact CD1-CE1 4.19Å; L53-F166 HydrophobicContact CD1-CZ 4.09Å; L53-F166 CarbonylContact O-C 3.49Å; L53-F166 VanDerWaalsContact O-CA 3.24Å; L53-F166 WeakPolarHBondContact O-CA 3.2Å; L53-I167 PolarHBondContact O-N 3.47Å
54G98.6Very high97.3Very high0 Ų044 Ų440%023%0.23CC..EExtended strand (participates in β ladder)trans-142.5176.7177.100000112.5M45 Q46M45-G54 CarbonylContact C-O 3.34Å; M45-G54 WeakPolarHBondContact CA-O 3.49Å; M45-G54 WeakPolarHBondContact CB-O 3.41Å; M45-G54 WeakPolarHBondContact CE-O 3.45Å; Q46-G54 PolarHBondContact N-O 3.22Å; Q46-G54 PolarHBondContact O-N 3.37Å
55F98.8Very high97.1Very high4 Ų446.1 Ų46.12%0.01824%0.24CC..  trans-91.4153168.9-72.2-70.9000109.9H22 L24 M45 F113 A170 Q173 L174H22-F55 HydrophobicContact CB-CB 3.88Å; H22-F55 PolarHBondContact CD2-O 2.91Å; L24-F55 HydrophobicContact CB-CD1 4.2Å; L24-F55 HydrophobicContact CB-CE1 3.88Å; L24-F55 HydrophobicContact CB-CZ 4.41Å; L24-F55 HydrophobicContact CD1-CE1 3.81Å; L24-F55 HydrophobicContact CD1-CZ 3.84Å; L24-F55 HydrophobicContact CG-CD1 4.48Å; L24-F55 HydrophobicContact CG-CE1 3.76Å; L24-F55 HydrophobicContact CG-CZ 4.29Å; M45-F55 HydrophobicContact CE-CD1 4.3Å; M45-F55 HydrophobicContact CE-CD2 4.09Å; M45-F55 HydrophobicContact CE-CE1 4.13Å; M45-F55 HydrophobicContact CE-CE2 3.93Å; M45-F55 HydrophobicContact CE-CG 4.29Å; M45-F55 HydrophobicContact CE-CZ 3.94Å; M45-F55 HydrophobicContact CG-CD1 3.93Å; M45-F55 HydrophobicContact CG-CE1 3.63Å; M45-F55 HydrophobicContact CG-CZ 4.23Å; M45-F55 HydrophobicContact SD-CE1 4.12Å; M45-F55 HydrophobicContact SD-CZ 4.1Å; F55-F113 HydrophobicContact CB-CE2 4.13Å; F55-F113 HydrophobicContact CD1-CE2 4.41Å; F55-F113 HydrophobicContact CD1-CZ 4.35Å; F55-F113 AromaticContact CD2-CE2 3.34Å; F55-F113 HydrophobicContact CD2-CE2 3.34Å; F55-F113 AromaticContact CD2-CZ 3.58Å; F55-F113 HydrophobicContact CD2-CZ 3.58Å; F55-F113 HydrophobicContact CE1-CZ 4.29Å; F55-F113 AromaticContact CE2-CE2 3.76Å; F55-F113 HydrophobicContact CE2-CE2 3.76Å; F55-F113 AromaticContact CE2-CZ 3.49Å; F55-F113 HydrophobicContact CE2-CZ 3.49Å; F55-F113 VanDerWaalsContact CE2-CZ 3.49Å; F55-F113 AromaticContact CG-CE2 3.7Å; F55-F113 HydrophobicContact CG-CE2 3.7Å; F55-F113 HydrophobicContact CG-CZ 4.02Å; F55-F113 HydrophobicContact CZ-CE2 4.46Å; F55-F113 AromaticContact CZ-CZ 3.87Å; F55-F113 HydrophobicContact CZ-CZ 3.87Å; F55-A170 HydrophobicContact CD2-CB 4.14Å; F55-A170 HydrophobicContact CE2-CB 4.38Å; F55-A170 WeakPolarHBondContact CE2-O 3.23Å; F55-Q173 HydrophobicContact CD2-CB 4.46Å; F55-Q173 HydrophobicContact CE2-CB 3.88Å; F55-L174 HydrophobicContact CE2-CB 4.22Å; F55-L174 HydrophobicContact CZ-CB 3.82Å; F55-L174 HydrophobicContact CZ-CD1 4.08Å
56P98.4Very high97Very high0 Ų048.9 Ų48.90%026%0.257CS..SBendtrans-59.9147.2170.9-23.234.2000112.7H22 V23 L75 E78 L79 M144H22-P56 CarbonylContact C-O 3.44Å; H22-P56 VanDerWaalsContact CA-O 3.23Å; H22-P56 WeakPolarHBondContact CA-O 3.43Å; H22-P56 WeakPolarHBondContact CB-O 3.19Å; V23-P56 PolarHBondContact N-O 3.35Å; P56-L75 HydrophobicContact CB-CD2 3.49Å; P56-L75 VanDerWaalsContact CB-CD2 3.49Å; P56-E78 WeakPolarHBondContact CA-OE2 3.25Å; P56-L79 HydrophobicContact CB-CD1 4.45Å; P56-L79 HydrophobicContact CB-CD2 4.05Å; P56-L79 HydrophobicContact CB-CG 4.45Å; P56-L79 HydrophobicContact CG-CD2 4.02Å; P56-M144 HydrophobicContact CG-CE 3.98Å; P56-M144 HydrophobicContact CG-SD 4.47Å
57G98Very high97Very high1 Ų149 Ų491%0.0126%0.258CS..EExtended strand (participates in β ladder)trans120.2177.1-176.900000112.6C21 E78C21-G57 CarbonylContact O-C 3.52Å; C21-G57 WeakPolarHBondContact O-CA 3.15Å; G57-E78 PolarHBondContact N-OE2 2.98Å
58G96.9Very high96.9Very high11 Ų1147 Ų4711%0.11325%0.248CC..EExtended strand (participates in β ladder)trans-164.7-151.5-173.200000113.4A20 C21 E74A20-G58 CarbonylContact C-O 3.53Å; A20-G58 WeakPolarHBondContact CA-O 3.48Å; A20-G58 WeakPolarHBondContact CB-O 3.31Å; C21-G58 PolarHBondContact N-O 2.95Å; C21-G58 PolarHBondContact O-N 3.31Å; G58-E74 VanDerWaalsContact CA-OE2 3.32Å; G58-E74 WeakPolarHBondContact CA-OE2 3.48Å
59F97Very high96.9Very high107 Ų10750.5 Ų50.547%0.46927%0.266SS..EExtended strand (participates in β ladder)trans-75.1142.9-175.6-76.2-78.2000111.4R18 H19 A20 R73 L109R18-F59 HydrophobicContact CB-CE1 4.43Å; H19-F59 WeakPolarHBondContact O-CA 3.18Å; H19-F59 WeakPolarHBondContact O-CD1 3.36Å; A20-F59 HydrophobicContact CB-CD1 4.13Å; A20-F59 HydrophobicContact CB-CE1 4.41Å; F59-R73 PolarHBondContact O-NH2 3.06Å; F59-L109 HydrophobicContact CD1-CD1 4.3Å; F59-L109 HydrophobicContact CE1-CD1 3.65Å; F59-L109 HydrophobicContact CE1-CD2 4.35Å
60V96.5Very high96.8Very high10 Ų1044.9 Ų44.96%0.06124%0.241CC..EExtended strand (participates in β ladder)trans-129146.5176.6179.50000109.2H19 C21 P62 E65 L67H19-V60 PolarHBondContact O-N 2.99Å; C21-V60 HydrophobicContact CB-CG2 4.01Å; V60-P62 WeakPolarHBondContact O-CD 3.07Å; V60-E65 HydrophobicContact CG1-CG 3.9Å; V60-L67 HydrophobicContact CG1-CD2 4.35Å
61N94.9Very high96.9Very high54 Ų5442 Ų4229%0.28923%0.226SC..  trans-109.896.9175.2-173.52.3000111.3L63 E64 E65N61-L63 PolarHBondContact O-N 3.45Å; N61-L63 WeakPolarHBondContact OD1-CB 3.41Å; N61-L63 PolarHBondContact OD1-N 2.89Å; N61-E64 HydrophobicContact CB-CB 4.35Å; N61-E64 WeakPolarHBondContact ND2-CG 3.15Å; N61-E64 PolarHBondContact ND2-OE1 2.74Å; N61-E64 PolarHBondContact ND2-OE2 2.9Å; N61-E64 PolarHBondContact O-N 2.79Å; N61-E65 PolarHBondContact O-N 3.36Å
62P94Very high96.9Very high45 Ų4541.9 Ų41.929%0.29222%0.216SC..THydrogen-bonded Turntrans-61.4-10.2179.6-24.735.2000115.6L12 H19 V60 E65 L67L12-P62 HydrophobicContact CD2-CB 4.1Å; L12-P62 HydrophobicContact CD2-CG 4.29Å; H19-P62 HydrophobicContact CB-CG 3.99Å; V60-P62 WeakPolarHBondContact O-CD 3.07Å; P62-E65 WeakPolarHBondContact CA-O 3.49Å; P62-L67 HydrophobicContact CG-CD2 4.06Å
63L92.8Very high96.8Very high166 Ų16643.7 Ų43.787%0.86922%0.22SC*.THydrogen-bonded Turntrans-81.8-20.3174.1-59.9177.1000112.9N61N61-L63 PolarHBondContact O-N 3.45Å; N61-L63 WeakPolarHBondContact OD1-CB 3.41Å; N61-L63 PolarHBondContact OD1-N 2.89Å
64E94.8Very high96.7Very high162 Ų16244.6 Ų44.676%0.75722%0.224SC*.THydrogen-bonded Turntrans-113.5-32.2-174.7-70.9173175.300112.3N61N61-E64 HydrophobicContact CB-CB 4.35Å; N61-E64 WeakPolarHBondContact ND2-CG 3.15Å; N61-E64 PolarHBondContact ND2-OE1 2.74Å; N61-E64 PolarHBondContact ND2-OE2 2.9Å; N61-E64 PolarHBondContact O-N 2.79Å
65E95.4Very high96.7Very high43 Ų4344.6 Ų44.620%0.20122%0.224CC..SBendtrans-145.5160.5-174.760.4-174.4173.200111.6V60 N61 P62 E69 G70 R73V60-E65 HydrophobicContact CG1-CG 3.9Å; N61-E65 PolarHBondContact O-N 3.36Å; P62-E65 WeakPolarHBondContact CA-O 3.49Å; E65-E69 HydrophobicContact CB-CB 4.19Å; E65-G70 WeakPolarHBondContact OE1-CA 3.02Å; E65-G70 WeakPolarHBondContact OE2-CA 3.49Å; E65-G70 PolarHBondContact OE2-N 3.34Å; E65-R73 IonicContact OE1-CZ 3.75Å; E65-R73 IonicContact OE1-NE 3.57Å; E65-R73 IonicContact OE1-NH2 3.02Å; E65-R73 PolarHBondContact OE1-NH2 2.86Å; E65-R73 IonicContact OE2-NE 3.54Å
66T96.6Very high96.6Very high58 Ų5848.7 Ų48.736%0.35625%0.246SC..  trans-70.2159.5167.762.70000111E68 E69 G70T66-E68 PolarHBondContact O-N 2.9Å; T66-E69 WeakPolarHBondContact CB-OE2 3.38Å; T66-E69 WeakPolarHBondContact CG2-OE2 3.17Å; T66-E69 PolarHBondContact N-OE2 3.09Å; T66-E69 PolarHBondContact O-N 3.22Å; T66-E69 WeakPolarHBondContact OG1-CB 3.12Å; T66-E69 WeakPolarHBondContact OG1-CG 3.31Å; T66-E69 PolarHBondContact OG1-N 3.31Å; T66-E69 PolarHBondContact OG1-OE2 3.06Å; T66-G70 PolarHBondContact O-N 3.21Å
67L97.5Very high96.6Very high3 Ų352 Ų522%0.01626%0.261CS..Hα-helixtrans-56-38.4176-63179.2000112.3R8 L12 H19 V60 P62 L71 H112 Y114R8-L67 HydrophobicContact CG-CD1 4.42Å; L12-L67 HydrophobicContact CD2-CD1 4.06Å; L12-L67 HydrophobicContact CD2-CD2 4.18Å; L12-L67 HydrophobicContact CD2-CG 4.09Å; L12-L67 HydrophobicContact CG-CD1 4.5Å; H19-L67 HydrophobicContact CB-CD2 4.49Å; V60-L67 HydrophobicContact CG1-CD2 4.35Å; P62-L67 HydrophobicContact CG-CD2 4.06Å; L67-L71 VanDerWaalsContact O-CB 3.23Å; L67-L71 WeakPolarHBondContact O-CB 3.41Å; L67-L71 PolarHBondContact O-N 3.29Å; L67-H112 WeakPolarHBondContact CD1-ND1 3.46Å; L67-Y114 VanDerWaalsContact CB-OH 3.27Å; L67-Y114 WeakPolarHBondContact CB-OH 3.39Å
68E97.8Very high96.6Very high13 Ų1352.2 Ų52.26%0.06126%0.262CS..Hα-helixtrans-76.2-36-177.2-62.877.4-149.800112.3R8 T66 T72 K87 Y114R8-E68 IonicContact CZ-OE1 3.03Å; R8-E68 IonicContact NE-OE1 3.53Å; R8-E68 PolarHBondContact NE-OE1 2.68Å; R8-E68 IonicContact NH2-OE1 3.29Å; R8-E68 PolarHBondContact NH2-OE1 3.45Å; R8-E68 IonicContact NH2-OE2 2.84Å; R8-E68 PolarHBondContact NH2-OE2 3.16Å; T66-E68 PolarHBondContact O-N 2.9Å; E68-T72 VanDerWaalsContact O-CB 3.3Å; E68-T72 WeakPolarHBondContact O-CB 3.33Å; E68-T72 PolarHBondContact O-N 3.26Å; E68-T72 PolarHBondContact O-OG1 3.15Å; E68-K87 VanDerWaalsContact CD-CG 3.46Å; E68-K87 HydrophobicContact CG-CG 4.13Å; E68-K87 WeakPolarHBondContact OE1-CG 3.07Å; E68-K87 WeakPolarHBondContact OE2-CG 3.47Å; E68-Y114 HydrophobicContact CG-CE1 4.09Å; E68-Y114 PolarHBondContact OE1-OH 3.28Å
69E96.6Very high96.6Very high113 Ų11351.7 Ų51.753%0.52826%0.256SS..Hα-helixtrans-63.8-48.9172-75.9162.5153.500111E65 T66 L71 T72 R73E65-E69 HydrophobicContact CB-CB 4.19Å; T66-E69 WeakPolarHBondContact CB-OE2 3.38Å; T66-E69 WeakPolarHBondContact CG2-OE2 3.17Å; T66-E69 PolarHBondContact N-OE2 3.09Å; T66-E69 PolarHBondContact O-N 3.22Å; T66-E69 WeakPolarHBondContact OG1-CB 3.12Å; T66-E69 WeakPolarHBondContact OG1-CG 3.31Å; T66-E69 PolarHBondContact OG1-N 3.31Å; T66-E69 PolarHBondContact OG1-OE2 3.06Å; E69-L71 PolarHBondContact O-N 3.3Å; E69-T72 PolarHBondContact O-N 3.45Å; E69-T72 VanDerWaalsContact O-N 3.16Å; E69-R73 PolarHBondContact O-N 3.4Å
70G97.4Very high96.6Very high0 Ų047.5 Ų47.50%024%0.244CC..Hα-helixtrans-63.3-43.2177.800000112.7E65 T66 T72 R73 E74E65-G70 WeakPolarHBondContact OE1-CA 3.02Å; E65-G70 WeakPolarHBondContact OE2-CA 3.49Å; E65-G70 PolarHBondContact OE2-N 3.34Å; T66-G70 PolarHBondContact O-N 3.21Å; G70-T72 VanDerWaalsContact C-N 3.32Å; G70-T72 PolarHBondContact O-N 3.17Å; G70-R73 WeakPolarHBondContact O-CB 3.45Å; G70-R73 PolarHBondContact O-N 2.92Å; G70-E74 VanDerWaalsContact O-CG 3.26Å; G70-E74 WeakPolarHBondContact O-CG 3.49Å; G70-E74 PolarHBondContact O-N 3.22Å
71L97.9Very high96.5Very high0 Ų049.4 Ų49.40%026%0.255CS..Hα-helixtrans-61.1-41.7173.4178.457000111.7C21 V23 L67 E69 R73 E74 L75 V85 Y114C21-L71 HydrophobicContact CB-CB 3.82Å; C21-L71 HydrophobicContact CB-CD1 3.96Å; C21-L71 HydrophobicContact CB-CD2 4.14Å; C21-L71 HydrophobicContact CB-CG 4.19Å; V23-L71 HydrophobicContact CB-CD2 4.33Å; L67-L71 VanDerWaalsContact O-CB 3.23Å; L67-L71 WeakPolarHBondContact O-CB 3.41Å; L67-L71 PolarHBondContact O-N 3.29Å; E69-L71 PolarHBondContact O-N 3.3Å; L71-R73 VanDerWaalsContact C-N 3.31Å; L71-R73 PolarHBondContact O-N 3.32Å; L71-E74 PolarHBondContact O-N 2.78Å; L71-L75 HydrophobicContact CD1-CD1 3.97Å; L71-L75 HydrophobicContact CD1-CD2 4.36Å; L71-L75 HydrophobicContact CD1-CG 3.94Å; L71-L75 HydrophobicContact CG-CD1 3.87Å; L71-L75 HydrophobicContact CG-CG 4.31Å; L71-L75 WeakPolarHBondContact O-CB 3.22Å; L71-L75 WeakPolarHBondContact O-CG 3.45Å; L71-L75 PolarHBondContact O-N 3.01Å; L71-V85 HydrophobicContact CD2-CB 4.07Å; L71-V85 HydrophobicContact CD2-CG1 3.74Å; L71-V85 HydrophobicContact CD2-CG2 4.03Å; L71-V85 HydrophobicContact CG-CG2 4.31Å; L71-Y114 HydrophobicContact CD2-CD1 4.38Å; L71-Y114 HydrophobicContact CD2-CD2 3.42Å; L71-Y114 VanDerWaalsContact CD2-CD2 3.42Å; L71-Y114 HydrophobicContact CD2-CE2 3.81Å; L71-Y114 HydrophobicContact CD2-CG 3.76Å
72T96.9Very high96.2Very high40 Ų4050.1 Ų50.125%0.24527%0.269CS..Hα-helixtrans-64.4-36.9178.4-59.40000111.7E68 E69 G70 L76E68-T72 VanDerWaalsContact O-CB 3.3Å; E68-T72 WeakPolarHBondContact O-CB 3.33Å; E68-T72 PolarHBondContact O-N 3.26Å; E68-T72 PolarHBondContact O-OG1 3.15Å; E69-T72 PolarHBondContact O-N 3.45Å; E69-T72 VanDerWaalsContact O-N 3.16Å; G70-T72 VanDerWaalsContact C-N 3.32Å; G70-T72 PolarHBondContact O-N 3.17Å; T72-L76 PolarHBondContact O-N 3.36Å
73R96.6Very high96.2Very high83 Ų8348.1 Ų48.131%0.31326%0.256SS..Hα-helixtrans-62.3-52.8173.2176.3-175.755.365.24.3111.4F59 E65 E69 G70 L71 L75 L76 E77F59-R73 PolarHBondContact O-NH2 3.06Å; E65-R73 IonicContact OE1-CZ 3.75Å; E65-R73 IonicContact OE1-NE 3.57Å; E65-R73 IonicContact OE1-NH2 3.02Å; E65-R73 PolarHBondContact OE1-NH2 2.86Å; E65-R73 IonicContact OE2-NE 3.54Å; E69-R73 PolarHBondContact O-N 3.4Å; G70-R73 WeakPolarHBondContact O-CB 3.45Å; G70-R73 PolarHBondContact O-N 2.92Å; L71-R73 VanDerWaalsContact C-N 3.31Å; L71-R73 PolarHBondContact O-N 3.32Å; R73-L75 VanDerWaalsContact C-N 3.29Å; R73-L75 PolarHBondContact O-N 3Å; R73-L76 WeakPolarHBondContact O-CB 3.38Å; R73-L76 PolarHBondContact O-N 2.9Å; R73-L76 VanDerWaalsContact O-N 3.07Å; R73-E77 WeakPolarHBondContact CG-OE1 3.48Å; R73-E77 IonicContact NH1-OE1 3.73Å; R73-E77 IonicContact NH1-OE2 3.43Å; R73-E77 PolarHBondContact NH1-OE2 3.2Å; R73-E77 WeakPolarHBondContact O-CG 3.49Å; R73-E77 PolarHBondContact O-N 2.89Å; R73-E77 VanDerWaalsContact O-N 3.16Å
74E97.4Very high96Very high24 Ų2444.5 Ų44.511%0.11224%0.242CC..Hα-helixtrans-58.1-42.2178.2-64.4-76.3153.200111.3G58 G70 L71 L76 E77 E78G58-E74 VanDerWaalsContact CA-OE2 3.32Å; G58-E74 WeakPolarHBondContact CA-OE2 3.48Å; G70-E74 VanDerWaalsContact O-CG 3.26Å; G70-E74 WeakPolarHBondContact O-CG 3.49Å; G70-E74 PolarHBondContact O-N 3.22Å; L71-E74 PolarHBondContact O-N 2.78Å; E74-L76 VanDerWaalsContact C-N 3.31Å; E74-L76 PolarHBondContact O-N 3.36Å; E74-E77 PolarHBondContact O-N 2.86Å; E74-E78 WeakPolarHBondContact O-CG 3.4Å; E74-E78 PolarHBondContact O-N 3.46Å
75L97.8Very high96Very high0 Ų037.4 Ų37.40%021%0.21CC..Hα-helixtrans-65.6-33.4177.3-67.4171.4000112.8V23 P56 L71 R73 E77 L79 V83 V85V23-L75 HydrophobicContact CG1-CD1 3.78Å; V23-L75 HydrophobicContact CG1-CD2 3.59Å; V23-L75 HydrophobicContact CG1-CG 4.3Å; P56-L75 HydrophobicContact CB-CD2 3.49Å; P56-L75 VanDerWaalsContact CB-CD2 3.49Å; L71-L75 HydrophobicContact CD1-CD1 3.97Å; L71-L75 HydrophobicContact CD1-CD2 4.36Å; L71-L75 HydrophobicContact CD1-CG 3.94Å; L71-L75 HydrophobicContact CG-CD1 3.87Å; L71-L75 HydrophobicContact CG-CG 4.31Å; L71-L75 WeakPolarHBondContact O-CB 3.22Å; L71-L75 WeakPolarHBondContact O-CG 3.45Å; L71-L75 PolarHBondContact O-N 3.01Å; R73-L75 VanDerWaalsContact C-N 3.29Å; R73-L75 PolarHBondContact O-N 3Å; L75-E77 VanDerWaalsContact C-N 3.34Å; L75-L79 HydrophobicContact CB-CD1 4.19Å; L75-L79 HydrophobicContact CD2-CD1 3.76Å; L75-L79 HydrophobicContact CD2-CG 4.31Å; L75-L79 WeakPolarHBondContact O-CA 3.35Å; L75-L79 WeakPolarHBondContact O-CB 3.24Å; L75-L79 WeakPolarHBondContact O-CG 3.12Å; L75-L79 PolarHBondContact O-N 3.1Å; L75-V83 HydrophobicContact CD1-CB 4.08Å; L75-V83 HydrophobicContact CD1-CG1 4.42Å; L75-V85 HydrophobicContact CD1-CG2 3.64Å
76L97.7Very high96.1Very high89 Ų8937.2 Ų37.247%0.46621%0.214SC..Hα-helixtrans-66-40.6175.5179.863.5000111.2T72 R73 E74 G80 A82T72-L76 PolarHBondContact O-N 3.36Å; R73-L76 WeakPolarHBondContact O-CB 3.38Å; R73-L76 PolarHBondContact O-N 2.9Å; R73-L76 VanDerWaalsContact O-N 3.07Å; E74-L76 VanDerWaalsContact C-N 3.31Å; E74-L76 PolarHBondContact O-N 3.36Å; L76-G80 VanDerWaalsContact O-CA 3.25Å; L76-G80 WeakPolarHBondContact O-CA 3.34Å; L76-G80 PolarHBondContact O-N 3.45Å; L76-A82 HydrophobicContact CD1-CB 4.4Å
77E97.3Very high96.1Very high70 Ų7040.2 Ų40.233%0.32722%0.221SC..Hα-helixtrans-66.5-47.1179-66.6163.7-179.200111R73 E74 L75 A135 D136R73-E77 WeakPolarHBondContact CG-OE1 3.48Å; R73-E77 IonicContact NH1-OE1 3.73Å; R73-E77 IonicContact NH1-OE2 3.43Å; R73-E77 PolarHBondContact NH1-OE2 3.2Å; R73-E77 WeakPolarHBondContact O-CG 3.49Å; R73-E77 PolarHBondContact O-N 2.89Å; R73-E77 VanDerWaalsContact O-N 3.16Å; E74-E77 PolarHBondContact O-N 2.86Å; L75-E77 VanDerWaalsContact C-N 3.34Å; E77-A135 PolarHBondContact O-N 3.12Å; E77-D136 WeakPolarHBondContact CB-OD2 3.29Å; E77-D136 PolarHBondContact O-N 2.91Å
78E97.9Very high96Very high5 Ų547.7 Ų47.72%0.02326%0.256CS..Hα-helixtrans-80.6-35.8-176.7-68.2-167.5147.900114.6Q46 P56 G57 E74 A134 V141Q46-E78 PolarHBondContact NE2-OE1 3.18Å; Q46-E78 PolarHBondContact NE2-OE2 3.46Å; Q46-E78 PolarHBondContact OE1-OE2 3.15Å; P56-E78 WeakPolarHBondContact CA-OE2 3.25Å; G57-E78 PolarHBondContact N-OE2 2.98Å; E74-E78 WeakPolarHBondContact O-CG 3.4Å; E74-E78 PolarHBondContact O-N 3.46Å; E78-A134 VanDerWaalsContact O-CB 3.23Å; E78-A134 WeakPolarHBondContact O-CB 3.13Å; E78-V141 HydrophobicContact CB-CG2 3.99Å; E78-V141 HydrophobicContact CG-CG2 3.74Å
79L97.8Very high96Very high0 Ų048.1 Ų48.10%026%0.259CS..Hα-helixtrans-102.9-13.7-174.2-51.7-178.6000113.2L25 P56 L75 V81 V83 I126 A129 A130 M144L25-L79 HydrophobicContact CD1-CD1 3.87Å; P56-L79 HydrophobicContact CB-CD1 4.45Å; P56-L79 HydrophobicContact CB-CD2 4.05Å; P56-L79 HydrophobicContact CB-CG 4.45Å; P56-L79 HydrophobicContact CG-CD2 4.02Å; L75-L79 HydrophobicContact CB-CD1 4.19Å; L75-L79 HydrophobicContact CD2-CD1 3.76Å; L75-L79 HydrophobicContact CD2-CG 4.31Å; L75-L79 WeakPolarHBondContact O-CA 3.35Å; L75-L79 WeakPolarHBondContact O-CB 3.24Å; L75-L79 WeakPolarHBondContact O-CG 3.12Å; L75-L79 PolarHBondContact O-N 3.1Å; L79-V81 HydrophobicContact CB-CG2 4.36Å; L79-V81 PolarHBondContact O-N 3.4Å; L79-V83 HydrophobicContact CD1-CG2 3.85Å; L79-I126 HydrophobicContact CB-CG2 4.25Å; L79-I126 HydrophobicContact CD1-CG2 4.05Å; L79-I126 HydrophobicContact CD2-CG2 4.12Å; L79-I126 HydrophobicContact CG-CG2 4.39Å; L79-A129 CarbonylContact O-C 3.57Å; L79-A129 VanDerWaalsContact O-CB 3.28Å; L79-A129 WeakPolarHBondContact O-CB 3.28Å; L79-A130 WeakPolarHBondContact O-CA 3.21Å; L79-A130 PolarHBondContact O-N 3.14Å; L79-M144 HydrophobicContact CD2-CE 3.86Å; L79-M144 HydrophobicContact CD2-SD 3.87Å
80G96.3Very high96Very high20 Ų2044.6 Ų44.621%0.20624%0.242CC..SBendtrans71.13.8-17900000114.5L76L76-G80 VanDerWaalsContact O-CA 3.25Å; L76-G80 WeakPolarHBondContact O-CA 3.34Å; L76-G80 PolarHBondContact O-N 3.45Å
81V94.8Very high96Very high49 Ų4946.2 Ų46.230%0.29725%0.253SS..SBendtrans-139.4143.4175.9-71.60000110.1L79 V83 I126 A129L79-V81 HydrophobicContact CB-CG2 4.36Å; L79-V81 PolarHBondContact O-N 3.4Å; V81-V83 HydrophobicContact CG2-CG2 4.5Å; V81-V83 PolarHBondContact O-N 3.09Å; V81-I126 HydrophobicContact CG2-CB 4.37Å; V81-I126 HydrophobicContact CG2-CG1 3.63Å; V81-A129 HydrophobicContact CG1-CB 3.57Å; V81-A129 HydrophobicContact CG2-CB 4.33Å
82A88.9Confident95.8Very high70 Ų7047.2 Ų47.258%0.57926%0.257SS*.  trans-70.4118.7176.200000110.2L76L76-A82 HydrophobicContact CD1-CB 4.4Å
83V94.2Very high95.8Very high2 Ų245.3 Ų45.31%0.01225%0.246CC..  trans-105.3109.5172.7179.40000107.9L25 L75 L79 V81 V85 K116 M118 I126L25-V83 HydrophobicContact CD1-CG1 4.31Å; L25-V83 HydrophobicContact CD1-CG2 4.37Å; L25-V83 HydrophobicContact CD2-CG1 3.98Å; L75-V83 HydrophobicContact CD1-CB 4.08Å; L75-V83 HydrophobicContact CD1-CG1 4.42Å; L79-V83 HydrophobicContact CD1-CG2 3.85Å; V81-V83 HydrophobicContact CG2-CG2 4.5Å; V81-V83 PolarHBondContact O-N 3.09Å; V83-V85 HydrophobicContact CG1-CG2 4.44Å; V83-V85 PolarHBondContact O-N 2.9Å; V83-V85 VanDerWaalsContact O-N 3.13Å; V83-K116 HydrophobicContact CG1-CD 4.17Å; V83-M118 HydrophobicContact CG1-CE 4.18Å; V83-M118 HydrophobicContact CG1-SD 4.17Å; V83-I126 HydrophobicContact CG2-CD1 3.81Å; V83-I126 HydrophobicContact CG2-CG1 4.21Å
84P88.6Confident95.7Very high91 Ų9142.2 Ų42.259%0.59124%0.236SC*.  trans-71111.9-177.227.4-32.9000110K116P84-K116 WeakPolarHBondContact O-CD 3.36Å; P84-K116 WeakPolarHBondContact O-CE 3.44Å; P84-K116 PolarHBondContact O-NZ 3.08Å
85V95.3Very high95.4Very high13 Ų1344 Ų448%0.07924%0.244CC..  trans-104.1138.9173.7-173.90000109.4L71 L75 V83 D89 Y114L71-V85 HydrophobicContact CD2-CB 4.07Å; L71-V85 HydrophobicContact CD2-CG1 3.74Å; L71-V85 HydrophobicContact CD2-CG2 4.03Å; L71-V85 HydrophobicContact CG-CG2 4.31Å; L75-V85 HydrophobicContact CD1-CG2 3.64Å; V83-V85 HydrophobicContact CG1-CG2 4.44Å; V83-V85 PolarHBondContact O-N 2.9Å; V83-V85 VanDerWaalsContact O-N 3.13Å; V85-D89 HydrophobicContact CG1-CB 3.93Å; V85-Y114 HydrophobicContact CG1-CD1 3.49Å; V85-Y114 VanDerWaalsContact CG1-CD1 3.49Å; V85-Y114 HydrophobicContact CG1-CE1 4.12Å; V85-Y114 HydrophobicContact CG1-CG 3.88Å
86S95.8Very high95Very high39 Ų3945.8 Ų45.827%0.27326%0.256SS..  trans-118.5168-177.366.60000111.2E88 D89S86-E88 WeakPolarHBondContact CB-OE2 3.49Å; S86-E88 PolarHBondContact O-N 2.92Å; S86-E88 PolarHBondContact OG-OE2 3.47Å; S86-D89 PolarHBondContact N-OD2 3.49Å; S86-D89 WeakPolarHBondContact O-CB 2.92Å; S86-D89 PolarHBondContact O-N 2.97Å; S86-D89 VanDerWaalsContact O-N 3.12Å; S86-D89 PolarHBondContact OG-OD2 3.39Å
87K96.6Very high94.3Very high120 Ų12044.8 Ų44.852%0.52226%0.255SS..G310 helixtrans-64.1-29.7177.9-71.5178-176.5178.30111.6E68 D89 H90E68-K87 VanDerWaalsContact CD-CG 3.46Å; E68-K87 HydrophobicContact CG-CG 4.13Å; E68-K87 WeakPolarHBondContact OE1-CG 3.07Å; E68-K87 WeakPolarHBondContact OE2-CG 3.47Å; K87-D89 PolarHBondContact O-N 2.85Å; K87-H90 WeakPolarHBondContact O-CB 3.46Å; K87-H90 PolarHBondContact O-N 3.04Å; K87-H90 VanDerWaalsContact O-N 3.1Å
88E96.6Very high93Very high160 Ų16047.4 Ų47.475%0.74828%0.278SS*.G310 helixtrans-68.6-22.9178.3-62.870.8-158.100112.2S86 H90S86-E88 WeakPolarHBondContact CB-OE2 3.49Å; S86-E88 PolarHBondContact O-N 2.92Å; S86-E88 PolarHBondContact OG-OE2 3.47Å; E88-H90 VanDerWaalsContact C-N 3.26Å
89D97.6Very high91.5Very high23 Ų2357 Ų5712%0.12331%0.314CS..G310 helixtrans-77.4-11.7174-59.6-60.7000111.6V85 S86 K87 Y114 V115 K116V85-D89 HydrophobicContact CG1-CB 3.93Å; S86-D89 PolarHBondContact N-OD2 3.49Å; S86-D89 WeakPolarHBondContact O-CB 2.92Å; S86-D89 PolarHBondContact O-N 2.97Å; S86-D89 VanDerWaalsContact O-N 3.12Å; S86-D89 PolarHBondContact OG-OD2 3.39Å; K87-D89 PolarHBondContact O-N 2.85Å; D89-Y114 HydrophobicContact CB-CD1 4.04Å; D89-Y114 CarbonylContact O-C 3.55Å; D89-Y114 WeakPolarHBondContact O-CA 3.41Å; D89-V115 PolarHBondContact O-N 3.1Å; D89-K116 IonicContact OD1-NZ 2.92Å; D89-K116 PolarHBondContact OD1-NZ 3.22Å; D89-K116 IonicContact OD2-NZ 2.69Å; D89-K116 PolarHBondContact OD2-NZ 3.11Å
90H97.7Very high89.3Confident38 Ų3863.4 Ų63.418%0.17636%0.359CS..EExtended strand (participates in β ladder)trans-70131.7-179.4-176.8-96.8000111.6K87 E88 E92 S93 H112 Y114K87-H90 WeakPolarHBondContact O-CB 3.46Å; K87-H90 PolarHBondContact O-N 3.04Å; K87-H90 VanDerWaalsContact O-N 3.1Å; E88-H90 VanDerWaalsContact C-N 3.26Å; H90-E92 VanDerWaalsContact CE1-C 3.49Å; H90-E92 PolarHBondContact CE1-O 3.1Å; H90-E92 PolarHBondContact NE2-O 3.43Å; H90-S93 PolarHBondContact CE1-OG 2.84Å; H90-S93 PolarHBondContact NE2-OG 3.07Å; H90-H112 AromaticContact NE2-ND1 3.89Å; H90-Y114 VanDerWaalsContact CA-CD1 3.48Å; H90-Y114 HydrophobicContact CB-CD1 3.86Å; H90-Y114 HydrophobicContact CB-CE1 3.55Å; H90-Y114 AromaticContact CD2-CE1 3.98Å; H90-Y114 AromaticContact CD2-CE2 3.96Å; H90-Y114 AromaticContact CD2-CZ 3.67Å
91V95.9Very high87.1Confident35 Ų3565.9 Ų65.921%0.21239%0.385CS..EExtended strand (participates in β ladder)trans-126-23.5-173.1-720000115.3F113 V115 R180V91-F113 HydrophobicContact CG2-CB 4.14Å; V91-F113 HydrophobicContact CG2-CD1 3.58Å; V91-F113 HydrophobicContact CG2-CE1 4.45Å; V91-F113 HydrophobicContact CG2-CG 4.25Å; V91-F113 WeakPolarHBondContact CG2-O 3.45Å; V91-F113 PolarHBondContact N-O 3.49Å; V91-V115 HydrophobicContact CB-CG2 4.38Å; V91-V115 HydrophobicContact CG1-CB 3.91Å; V91-V115 HydrophobicContact CG1-CG2 3.9Å; V91-V115 HydrophobicContact CG2-CB 4.41Å; V91-V115 HydrophobicContact CG2-CG2 3.68Å; V91-R180 PolarHBondContact O-NH1 2.84Å; V91-R180 VanDerWaalsContact O-NH1 3.07Å
92E94.7Very high84.8Confident21 Ų2167.9 Ų67.910%0.09840%0.397CS..EExtended strand (participates in β ladder)trans-163.5153.1176.557.2174-134.200112.5H90 F113 Q173H90-E92 VanDerWaalsContact CE1-C 3.49Å; H90-E92 PolarHBondContact CE1-O 3.1Å; H90-E92 PolarHBondContact NE2-O 3.43Å; E92-F113 HydrophobicContact CG-CB 3.46Å; E92-F113 VanDerWaalsContact CG-CB 3.46Å; E92-F113 HydrophobicContact CG-CD1 4.28Å; E92-F113 HydrophobicContact CG-CG 4.31Å; E92-F113 PolarHBondContact N-O 2.97Å; E92-F113 PolarHBondContact O-N 2.95Å; E92-Q173 WeakPolarHBondContact OE1-CG 3.5Å; E92-Q173 PolarHBondContact OE1-NE2 3.4Å
93S96Very high82.7Confident0 Ų076.1 Ų76.10%042%0.415CS..EExtended strand (participates in β ladder)trans-128.8136.3163.9-73.30000109Q5 M6 H90 L111 H112Q5-S93 WeakPolarHBondContact CA-O 3.27Å; M6-S93 PolarHBondContact N-O 3.1Å; H90-S93 PolarHBondContact CE1-OG 2.84Å; H90-S93 PolarHBondContact NE2-OG 3.07Å; S93-L111 CarbonylContact C-O 3.58Å; S93-L111 WeakPolarHBondContact CA-O 3.21Å; S93-H112 PolarHBondContact OG-CE1 3.45Å; S93-H112 PolarHBondContact OG-ND1 3.45Å
94C94Very high80.5Confident17 Ų1779.9 Ų79.912%0.11544%0.442CS..EExtended strand (participates in β ladder)trans-149156.8176.369.60000112.5G4 I110 L111G4-C94 VanDerWaalsContact O-CA 3.22Å; G4-C94 WeakPolarHBondContact O-CA 3.39Å; G4-C94 WeakPolarHBondContact O-CB 3.45Å; C94-I110 WeakPolarHBondContact O-CA 3.41Å; C94-L111 PolarHBondContact N-O 3.4Å; C94-L111 PolarHBondContact O-N 2.89Å
95F92Very high78.7Confident62 Ų6281.7 Ų81.727%0.27246%0.457SS..EExtended strand (participates in β ladder)trans-67.6139.5165.8-75.4-63.3000110.5G4 M6 R108 I110G4-F95 PolarHBondContact O-N 2.74Å; M6-F95 HydrophobicContact CE-CB 4.47Å; M6-F95 HydrophobicContact CE-CD1 4.08Å; M6-F95 HydrophobicContact CE-CD2 3.21Å; M6-F95 HydrophobicContact CE-CE1 4.06Å; M6-F95 HydrophobicContact CE-CE2 3.19Å; M6-F95 HydrophobicContact CE-CG 3.67Å; M6-F95 HydrophobicContact CE-CZ 3.63Å; M6-F95 HydrophobicContact SD-CE2 4.46Å; F95-R108 HydrophobicContact CD1-CB 4.22Å; F95-R108 HydrophobicContact CE1-CB 4.13Å; F95-I110 HydrophobicContact CD1-CG1 3.83Å; F95-I110 HydrophobicContact CE1-CD1 4.05Å; F95-I110 HydrophobicContact CE1-CG1 3.67Å
96S88.9Confident76.9Confident38 Ų3884.3 Ų84.327%0.26648%0.475SS..PPolyproline II helixtrans-59132.9165.1-179.40000109L109S96-L109 PolarHBondContact N-O 2.9Å
97P83.2Confident75.5Confident67 Ų6784.9 Ų84.944%0.43548%0.479SS..PPolyproline II helixtrans-55.6145.4173.8-22.731.7000110.9R99 V169P97-R99 PolarHBondContact O-N 3.07Å; P97-V169 VanDerWaalsContact CD-CG1 3.49Å; P97-V169 HydrophobicContact CG-CG1 3.64Å
98P71.2Confident75.1Confident126 Ų12687 Ų8782%0.81848%0.484SS*.PPolyproline II helixtrans-61.7132.3174.624.3-30.8000109.9S100P98-S100 PolarHBondContact O-N 2.89Å
99R65.2Low74.9Confident205 Ų20581 Ų8177%0.77446%0.457SS*.PPolyproline II helixtrans-69.3124.8170.5-62.5-179.488.3164.36.1107.6P97 G101 T102P97-R99 PolarHBondContact O-N 3.07Å; R99-G101 PolarHBondContact O-N 3.01Å; R99-T102 PolarHBondContact O-N 3.43Å; R99-T102 PolarHBondContact O-OG1 3.2Å
100S51.7Low74.8Confident135 Ų13580 Ų8094%0.94445%0.451SS*.THydrogen-bonded Turntrans-55.7122.6179.1-156.20000109.4P98P98-S100 PolarHBondContact O-N 2.89Å
101G49.8Very low74.7Confident73 Ų7378.8 Ų78.875%0.75345%0.446SS*.THydrogen-bonded Turntrans95.4-3.8176.900000117.6R99R99-G101 PolarHBondContact O-N 3.01Å
102T47.1Very low74.8Confident90 Ų9077.1 Ų77.155%0.55244%0.436SS*.  trans-112.595.7175.656.20000111.8R99 S104R99-T102 PolarHBondContact O-N 3.43Å; R99-T102 PolarHBondContact O-OG1 3.2Å; T102-S104 PolarHBondContact O-N 3.26Å; T102-S104 VanDerWaalsContact O-N 3.12Å
103Y43.8Very low75Confident243 Ų24376.1 Ų76.195%0.95343%0.431SS*.  trans-81.954164.7-70.2-81.8000110.4
104S48.4Very low75.1Confident82 Ų8276.1 Ų76.157%0.57343%0.431SS*.  trans-87.5130.6175.3-174.30000109.9T102 S106T102-S104 PolarHBondContact O-N 3.26Å; T102-S104 VanDerWaalsContact O-N 3.12Å; S104-S106 PolarHBondContact O-N 3.44Å
105S51Low75.3Confident129 Ų12976.1 Ų76.190%0.90243%0.431SS*.  trans-65.218.5170.1-179.70000113.3
106S58.4Low75.6Confident68 Ų6874.9 Ų74.948%0.47643%0.425SS..  trans-69.1147.7178.4580000110.5S104 R108S104-S106 PolarHBondContact O-N 3.44Å; S106-R108 PolarHBondContact O-N 3.02Å
107S66.3Low76.1Confident50 Ų5078.1 Ų78.135%0.3543%0.434SS..  trans-45.6125.2177.244.10000111C16 R18C16-S107 WeakPolarHBondContact O-CA 3.26Å; C16-S107 WeakPolarHBondContact O-CB 3.3Å; R18-S107 WeakPolarHBondContact CG-OG 3.35Å; R18-S107 PolarHBondContact NE-OG 2.85Å
108R87.6Confident76.7Confident166 Ų16675.8 Ų75.863%0.62642%0.418SS*.PPolyproline II helixtrans-59.2142.3179.7-60.7179.294.2169.44.9108.5C17 R18 F95 S106C17-R108 CarbonylContact C-O 3.55Å; C17-R108 VanDerWaalsContact CA-O 3.23Å; C17-R108 WeakPolarHBondContact CA-O 3.28Å; R18-R108 PolarHBondContact N-O 2.93Å; F95-R108 HydrophobicContact CD1-CB 4.22Å; F95-R108 HydrophobicContact CE1-CB 4.13Å; S106-R108 PolarHBondContact O-N 3.02Å
109L92.1Very high78Confident34 Ų3475.9 Ų75.918%0.17841%0.407CS..EExtended strand (participates in β ladder)trans-96.2125.4177.9177.256.7000109.4R18 A20 F59 S96 L111R18-L109 HydrophobicContact CB-CD1 4.04Å; R18-L109 CarbonylContact O-C 3.39Å; R18-L109 WeakPolarHBondContact O-CA 3.3Å; R18-L109 WeakPolarHBondContact O-CD1 3.32Å; A20-L109 HydrophobicContact CB-CD1 4.12Å; F59-L109 HydrophobicContact CD1-CD1 4.3Å; F59-L109 HydrophobicContact CE1-CD1 3.65Å; F59-L109 HydrophobicContact CE1-CD2 4.35Å; S96-L109 PolarHBondContact N-O 2.9Å; L109-L111 HydrophobicContact CD1-CD2 4.16Å; L109-L111 HydrophobicContact CD2-CD2 3.75Å; L109-L111 HydrophobicContact CG-CD2 3.69Å; L109-L111 HydrophobicContact CG-CG 4.36Å
110I95.3Very high79.6Confident0 Ų067.2 Ų67.20%038%0.376CS..EExtended strand (participates in β ladder)trans-99.8131.4167.8-62.4176.7000108.3M6 A11 C14 C17 R18 H19 A20 C94 F95 H112M6-I110 HydrophobicContact SD-CD1 4.13Å; M6-I110 HydrophobicContact SD-CG2 4.47Å; A11-I110 HydrophobicContact CB-CD1 4.27Å; A11-I110 HydrophobicContact CB-CG2 4.02Å; A11-I110 WeakPolarHBondContact O-CD1 3.42Å; C14-I110 HydrophobicContact CB-CD1 3.57Å; C17-I110 HydrophobicContact CB-CD1 3.73Å; C17-I110 HydrophobicContact CB-CG1 4.03Å; C17-I110 VanDerWaalsContact SG-CD1 3.51Å; R18-I110 PolarHBondContact O-N 2.89Å; H19-I110 WeakPolarHBondContact CA-O 3.4Å; A20-I110 PolarHBondContact N-O 2.96Å; C94-I110 WeakPolarHBondContact O-CA 3.41Å; F95-I110 HydrophobicContact CD1-CG1 3.83Å; F95-I110 HydrophobicContact CE1-CD1 4.05Å; F95-I110 HydrophobicContact CE1-CG1 3.67Å; I110-H112 WeakPolarHBondContact CG2-NE2 3.42Å
111L96.5Very high81.8Confident13 Ų1366.2 Ų66.27%0.06836%0.356CS..EExtended strand (participates in β ladder)trans-106.9121.5177.8-56.2178000108.1A20 S93 C94 L109 V169A20-L111 HydrophobicContact CB-CD2 4Å; A20-L111 WeakPolarHBondContact O-CA 3.38Å; S93-L111 CarbonylContact C-O 3.58Å; S93-L111 WeakPolarHBondContact CA-O 3.21Å; C94-L111 PolarHBondContact N-O 3.4Å; C94-L111 PolarHBondContact O-N 2.89Å; L109-L111 HydrophobicContact CD1-CD2 4.16Å; L109-L111 HydrophobicContact CD2-CD2 3.75Å; L109-L111 HydrophobicContact CG-CD2 3.69Å; L109-L111 HydrophobicContact CG-CG 4.36Å; L111-V169 HydrophobicContact CD1-CG1 4.47Å; L111-V169 HydrophobicContact CD1-CG2 3.5Å; L111-V169 VanDerWaalsContact CD1-CG2 3.5Å
112H97.9Very high84.1Confident0 Ų067.3 Ų67.30%034%0.342CS..EExtended strand (participates in β ladder)trans-102136.8171.7-58-97.8000108.5H19 A20 C21 H22 L67 H90 S93 I110 Y114H19-H112 AromaticContact CE1-NE2 3.82Å; H19-H112 AromaticContact CG-NE2 3.83Å; H19-H112 AromaticContact ND1-CD2 3.83Å; H19-H112 AromaticContact ND1-CE1 3.83Å; H19-H112 AromaticContact ND1-NE2 2.87Å; H19-H112 PolarHBondContact ND1-NE2 3.4Å; A20-H112 PolarHBondContact O-N 3.42Å; C21-H112 WeakPolarHBondContact CA-O 3.34Å; C21-H112 HydrophobicContact CB-CB 4.48Å; H22-H112 PolarHBondContact N-O 2.92Å; L67-H112 WeakPolarHBondContact CD1-ND1 3.46Å; H90-H112 AromaticContact NE2-ND1 3.89Å; S93-H112 PolarHBondContact OG-CE1 3.45Å; S93-H112 PolarHBondContact OG-ND1 3.45Å; I110-H112 WeakPolarHBondContact CG2-NE2 3.42Å; H112-Y114 HydrophobicContact CB-CE2 3.96Å
113F98.3Very high86.5Confident0 Ų063 Ų630%032%0.316CS..EExtended strand (participates in β ladder)trans-125.2138-179.2-161.2-120.7000111.1H22 L24 F55 V91 E92 V115 Q173 S177H22-F113 HydrophobicContact CB-CD2 4.15Å; H22-F113 HydrophobicContact CB-CE2 4.33Å; H22-F113 WeakPolarHBondContact O-CA 3.35Å; H22-F113 WeakPolarHBondContact O-CD2 3.33Å; L24-F113 HydrophobicContact CB-CE1 4.16Å; L24-F113 HydrophobicContact CB-CZ 3.72Å; L24-F113 HydrophobicContact CD1-CZ 4.48Å; F55-F113 HydrophobicContact CB-CE2 4.13Å; F55-F113 HydrophobicContact CD1-CE2 4.41Å; F55-F113 HydrophobicContact CD1-CZ 4.35Å; F55-F113 AromaticContact CD2-CE2 3.34Å; F55-F113 HydrophobicContact CD2-CE2 3.34Å; F55-F113 AromaticContact CD2-CZ 3.58Å; F55-F113 HydrophobicContact CD2-CZ 3.58Å; F55-F113 HydrophobicContact CE1-CZ 4.29Å; F55-F113 AromaticContact CE2-CE2 3.76Å; F55-F113 HydrophobicContact CE2-CE2 3.76Å; F55-F113 AromaticContact CE2-CZ 3.49Å; F55-F113 HydrophobicContact CE2-CZ 3.49Å; F55-F113 VanDerWaalsContact CE2-CZ 3.49Å; F55-F113 AromaticContact CG-CE2 3.7Å; F55-F113 HydrophobicContact CG-CE2 3.7Å; F55-F113 HydrophobicContact CG-CZ 4.02Å; F55-F113 HydrophobicContact CZ-CE2 4.46Å; F55-F113 AromaticContact CZ-CZ 3.87Å; F55-F113 HydrophobicContact CZ-CZ 3.87Å; V91-F113 HydrophobicContact CG2-CB 4.14Å; V91-F113 HydrophobicContact CG2-CD1 3.58Å; V91-F113 HydrophobicContact CG2-CE1 4.45Å; V91-F113 HydrophobicContact CG2-CG 4.25Å; V91-F113 WeakPolarHBondContact CG2-O 3.45Å; V91-F113 PolarHBondContact N-O 3.49Å; E92-F113 HydrophobicContact CG-CB 3.46Å; E92-F113 VanDerWaalsContact CG-CB 3.46Å; E92-F113 HydrophobicContact CG-CD1 4.28Å; E92-F113 HydrophobicContact CG-CG 4.31Å; E92-F113 PolarHBondContact N-O 2.97Å; E92-F113 PolarHBondContact O-N 2.95Å; F113-V115 HydrophobicContact CD1-CG2 4.38Å; F113-V115 HydrophobicContact CE1-CG2 4.03Å; F113-Q173 HydrophobicContact CB-CG 4.47Å; F113-Q173 HydrophobicContact CD1-CB 4.13Å; F113-Q173 HydrophobicContact CD1-CG 3.89Å; F113-Q173 HydrophobicContact CD2-CB 4.39Å; F113-Q173 VanDerWaalsContact CD2-CD 3.43Å; F113-Q173 HydrophobicContact CD2-CG 4.07Å; F113-Q173 HydrophobicContact CE1-CB 3.8Å; F113-Q173 HydrophobicContact CE1-CG 4.1Å; F113-Q173 HydrophobicContact CE2-CB 4.08Å; F113-Q173 HydrophobicContact CE2-CG 4.26Å; F113-Q173 HydrophobicContact CG-CB 4.41Å; F113-Q173 HydrophobicContact CG-CG 3.88Å; F113-Q173 HydrophobicContact CZ-CB 3.75Å; F113-Q173 HydrophobicContact CZ-CG 4.26Å; F113-S177 WeakPolarHBondContact CE1-OG 3.37Å
114Y98.6Very high89.1Confident0 Ų056.4 Ų56.40%029%0.289CS..EExtended strand (participates in β ladder)trans-122.1153.4179.9-63.1-103.8000109.7C21 H22 V23 L24 L67 E68 L71 V85 D89 H90 H112C21-Y114 HydrophobicContact CB-CE2 4.07Å; H22-Y114 PolarHBondContact O-N 3.44Å; V23-Y114 CarbonylContact C-O 3.46Å; V23-Y114 WeakPolarHBondContact CA-O 3.46Å; L24-Y114 PolarHBondContact N-O 3.17Å; L67-Y114 VanDerWaalsContact CB-OH 3.27Å; L67-Y114 WeakPolarHBondContact CB-OH 3.39Å; E68-Y114 HydrophobicContact CG-CE1 4.09Å; E68-Y114 PolarHBondContact OE1-OH 3.28Å; L71-Y114 HydrophobicContact CD2-CD1 4.38Å; L71-Y114 HydrophobicContact CD2-CD2 3.42Å; L71-Y114 VanDerWaalsContact CD2-CD2 3.42Å; L71-Y114 HydrophobicContact CD2-CE2 3.81Å; L71-Y114 HydrophobicContact CD2-CG 3.76Å; V85-Y114 HydrophobicContact CG1-CD1 3.49Å; V85-Y114 VanDerWaalsContact CG1-CD1 3.49Å; V85-Y114 HydrophobicContact CG1-CE1 4.12Å; V85-Y114 HydrophobicContact CG1-CG 3.88Å; D89-Y114 HydrophobicContact CB-CD1 4.04Å; D89-Y114 CarbonylContact O-C 3.55Å; D89-Y114 WeakPolarHBondContact O-CA 3.41Å; H90-Y114 VanDerWaalsContact CA-CD1 3.48Å; H90-Y114 HydrophobicContact CB-CD1 3.86Å; H90-Y114 HydrophobicContact CB-CE1 3.55Å; H90-Y114 AromaticContact CD2-CE1 3.98Å; H90-Y114 AromaticContact CD2-CE2 3.96Å; H90-Y114 AromaticContact CD2-CZ 3.67Å; H112-Y114 HydrophobicContact CB-CE2 3.96Å
115V98.6Very high91.4Very high17 Ų1757.3 Ų57.310%0.10328%0.284CS..EExtended strand (participates in β ladder)trans-133.4122.7174.8170.20000107.7L24 Y26 D89 V91 F113 L181L24-V115 HydrophobicContact CB-CG2 4.13Å; L24-V115 HydrophobicContact CD2-CG1 4.39Å; L24-V115 WeakPolarHBondContact O-CA 3.44Å; Y26-V115 HydrophobicContact CD1-CG1 4.13Å; Y26-V115 HydrophobicContact CE1-CG1 3.73Å; D89-V115 PolarHBondContact O-N 3.1Å; V91-V115 HydrophobicContact CB-CG2 4.38Å; V91-V115 HydrophobicContact CG1-CB 3.91Å; V91-V115 HydrophobicContact CG1-CG2 3.9Å; V91-V115 HydrophobicContact CG2-CB 4.41Å; V91-V115 HydrophobicContact CG2-CG2 3.68Å; F113-V115 HydrophobicContact CD1-CG2 4.38Å; F113-V115 HydrophobicContact CE1-CG2 4.03Å; V115-L181 HydrophobicContact CG1-CD1 3.53Å; V115-L181 HydrophobicContact CG1-CD2 4.26Å; V115-L181 HydrophobicContact CG1-CG 4.41Å
116K98.3Very high93.7Very high36 Ų3651.4 Ų51.416%0.15724%0.242CC..EExtended strand (participates in β ladder)trans-127.9122.5-179.1-169.1176.7-162.979.50111.4V23 L24 L25 Y26 V83 P84 D89 M118V23-K116 HydrophobicContact CG2-CB 4.21Å; L24-K116 PolarHBondContact O-N 2.81Å; L25-K116 HydrophobicContact CD2-CB 3.86Å; L25-K116 HydrophobicContact CD2-CD 4.48Å; Y26-K116 VanDerWaalsContact CD1-O 3.31Å; Y26-K116 WeakPolarHBondContact CD1-O 3.33Å; Y26-K116 PolarHBondContact N-O 2.76Å; Y26-K116 VanDerWaalsContact N-O 3.07Å; V83-K116 HydrophobicContact CG1-CD 4.17Å; P84-K116 WeakPolarHBondContact O-CD 3.36Å; P84-K116 WeakPolarHBondContact O-CE 3.44Å; P84-K116 PolarHBondContact O-NZ 3.08Å; D89-K116 IonicContact OD1-NZ 2.92Å; D89-K116 PolarHBondContact OD1-NZ 3.22Å; D89-K116 IonicContact OD2-NZ 2.69Å; D89-K116 PolarHBondContact OD2-NZ 3.11Å; K116-M118 HydrophobicContact CD-CG 4.44Å; K116-M118 HydrophobicContact CG-CG 4.24Å
117K98.2Very high95.6Very high106 Ų10650.3 Ų50.346%0.46123%0.229SC..EExtended strand (participates in β ladder)trans-79.9138.1168.4-165.4177.9-178.7-179.30109.3Y26 E28Y26-K117 HydrophobicContact CD1-CB 4.33Å; Y26-K117 HydrophobicContact CD2-CG 4.44Å; Y26-K117 HydrophobicContact CE1-CB 3.61Å; Y26-K117 HydrophobicContact CE1-CG 4.15Å; Y26-K117 HydrophobicContact CE2-CB 4.24Å; Y26-K117 HydrophobicContact CE2-CD 4.17Å; Y26-K117 HydrophobicContact CE2-CG 3.88Å; Y26-K117 CarbonylContact O-C 3.56Å; Y26-K117 WeakPolarHBondContact O-CA 3.34Å; E28-K117 IonicContact OE1-NZ 3.53Å; E28-K117 PolarHBondContact OE1-NZ 3.03Å
118M97.4Very high97.1Very high18 Ų1853.5 Ų53.59%0.08924%0.237CC..  trans-136.1164.8178.7-55.8-171.376.500110.3L25 Y26 S27 V83 K116 Q122 I123 I126L25-M118 HydrophobicContact CB-SD 4.36Å; L25-M118 HydrophobicContact CD1-SD 4.26Å; L25-M118 HydrophobicContact CD2-SD 3.98Å; L25-M118 HydrophobicContact CG-SD 4.43Å; Y26-M118 PolarHBondContact O-N 2.93Å; S27-M118 WeakPolarHBondContact CA-O 3.29Å; S27-M118 WeakPolarHBondContact CB-O 3.21Å; V83-M118 HydrophobicContact CG1-CE 4.18Å; V83-M118 HydrophobicContact CG1-SD 4.17Å; K116-M118 HydrophobicContact CD-CG 4.44Å; K116-M118 HydrophobicContact CG-CG 4.24Å; M118-Q122 HydrophobicContact CB-CB 4.43Å; M118-Q122 HydrophobicContact CE-CB 3.96Å; M118-I123 HydrophobicContact CB-CD1 4.19Å; M118-I123 HydrophobicContact CB-CG1 4.22Å; M118-I123 HydrophobicContact SD-CD1 4.17Å; M118-I126 HydrophobicContact CE-CD1 3.9Å; M118-I126 HydrophobicContact SD-CD1 3.76Å
119E97.9Very high97.6Very high128 Ų12846.1 Ų46.160%0.59821%0.212SC*.  trans-71.3149.8169.4-60.4-55.7143.700110.7E121 Q122 I123E119-E121 PolarHBondContact O-N 3.39Å; E119-Q122 HydrophobicContact CB-CG 4.16Å; E119-Q122 WeakPolarHBondContact O-CB 3.42Å; E119-Q122 PolarHBondContact O-N 2.72Å; E119-Q122 VanDerWaalsContact O-N 3.08Å; E119-I123 PolarHBondContact O-N 3.46Å
120E98.1Very high97.9Very high23 Ų2344.6 Ų44.611%0.10720%0.204CC..Hα-helixtrans-60-36.5-178.2178.6170.3175.300111.7T29 I42 Q122 I123 R124T29-E120 VanDerWaalsContact CA-OE2 3.28Å; T29-E120 WeakPolarHBondContact CA-OE2 3.24Å; T29-E120 WeakPolarHBondContact CB-OE2 3.47Å; T29-E120 PolarHBondContact OG1-OE1 2.9Å; T29-E120 VanDerWaalsContact OG1-OE1 3.04Å; T29-E120 PolarHBondContact OG1-OE2 3.05Å; I42-E120 HydrophobicContact CD1-CG 3.8Å; E120-Q122 VanDerWaalsContact C-N 3.33Å; E120-Q122 PolarHBondContact O-N 2.97Å; E120-I123 PolarHBondContact O-N 3.07Å; E120-R124 WeakPolarHBondContact O-CG 3.19Å; E120-R124 PolarHBondContact O-N 3.29Å; E120-R124 IonicContact OE1-CZ 3.45Å; E120-R124 IonicContact OE1-NE 3.52Å; E120-R124 PolarHBondContact OE1-NE 2.91Å; E120-R124 IonicContact OE1-NH2 2.69Å; E120-R124 PolarHBondContact OE1-NH2 2.91Å
121E98Very high98Very high115 Ų11547.5 Ų47.554%0.53723%0.228SC..Hα-helixtrans-62.2-40.6176.4-70.266.9-148.500111.7E119 R124 E125E119-E121 PolarHBondContact O-N 3.39Å; E121-R124 PolarHBondContact O-N 3.16Å; E121-E125 PolarHBondContact O-N 3.27Å
122Q97.9Very high98Very high96 Ų9651.3 Ų51.345%0.44926%0.255SS..Hα-helixtrans-66.5-40.2178.6-63.5175.1-5100111.2M118 E119 E120 R124 E125 I126M118-Q122 HydrophobicContact CB-CB 4.43Å; M118-Q122 HydrophobicContact CE-CB 3.96Å; E119-Q122 HydrophobicContact CB-CG 4.16Å; E119-Q122 WeakPolarHBondContact O-CB 3.42Å; E119-Q122 PolarHBondContact O-N 2.72Å; E119-Q122 VanDerWaalsContact O-N 3.08Å; E120-Q122 VanDerWaalsContact C-N 3.33Å; E120-Q122 PolarHBondContact O-N 2.97Å; Q122-R124 VanDerWaalsContact C-N 3.3Å; Q122-R124 PolarHBondContact O-N 2.99Å; Q122-E125 PolarHBondContact O-N 3.48Å; Q122-I126 WeakPolarHBondContact O-CG1 3.39Å; Q122-I126 PolarHBondContact O-N 3.1Å
123I98.1Very high98Very high0 Ų055.8 Ų55.80%028%0.283CS..Hα-helixtrans-59.5-42.5173.4-68.3-65.3000111L25 I42 L44 M118 E119 E120 E125 I126 E127L25-I123 HydrophobicContact CB-CD1 3.99Å; I42-I123 HydrophobicContact CB-CG2 4.49Å; I42-I123 HydrophobicContact CG2-CG2 3.72Å; L44-I123 HydrophobicContact CD1-CD1 3.9Å; L44-I123 HydrophobicContact CD1-CG2 4.12Å; L44-I123 HydrophobicContact CD2-CG2 4.05Å; L44-I123 HydrophobicContact CG-CD1 4.22Å; L44-I123 HydrophobicContact CG-CG2 4.19Å; M118-I123 HydrophobicContact CB-CD1 4.19Å; M118-I123 HydrophobicContact CB-CG1 4.22Å; M118-I123 HydrophobicContact SD-CD1 4.17Å; E119-I123 PolarHBondContact O-N 3.46Å; E120-I123 PolarHBondContact O-N 3.07Å; I123-E125 PolarHBondContact O-N 3.36Å; I123-I126 WeakPolarHBondContact O-CB 3.28Å; I123-I126 PolarHBondContact O-N 2.94Å; I123-E127 WeakPolarHBondContact O-CG 3.45Å; I123-E127 PolarHBondContact O-N 3.33Å
124R97.9Very high98Very high103 Ų10356.3 Ų56.339%0.38929%0.288SS..Hα-helixtrans-65-38.2177.4-69.8171.7-177.5-179.40.3112.4E120 E121 Q122 E127 K128E120-R124 WeakPolarHBondContact O-CG 3.19Å; E120-R124 PolarHBondContact O-N 3.29Å; E120-R124 IonicContact OE1-CZ 3.45Å; E120-R124 IonicContact OE1-NE 3.52Å; E120-R124 PolarHBondContact OE1-NE 2.91Å; E120-R124 IonicContact OE1-NH2 2.69Å; E120-R124 PolarHBondContact OE1-NH2 2.91Å; E121-R124 PolarHBondContact O-N 3.16Å; Q122-R124 VanDerWaalsContact C-N 3.3Å; Q122-R124 PolarHBondContact O-N 2.99Å; R124-E127 PolarHBondContact O-N 3.49Å; R124-K128 WeakPolarHBondContact O-CG 3.4Å; R124-K128 PolarHBondContact O-N 3.44Å; R124-K128 VanDerWaalsContact O-N 3.12Å
125E98.1Very high97.9Very high102 Ų10259.7 Ų59.748%0.47732%0.315SS..Hα-helixtrans-67.4-39175.3-66-45.6129.800111.9E121 Q122 I123 E127 K128 A129E121-E125 PolarHBondContact O-N 3.27Å; Q122-E125 PolarHBondContact O-N 3.48Å; I123-E125 PolarHBondContact O-N 3.36Å; E125-E127 PolarHBondContact O-N 3.29Å; E125-K128 PolarHBondContact O-N 3.32Å; E125-K128 IonicContact OE1-NZ 2.71Å; E125-K128 PolarHBondContact OE1-NZ 3.08Å; E125-K128 IonicContact OE2-NZ 3.66Å; E125-A129 WeakPolarHBondContact O-CB 3.07Å; E125-A129 PolarHBondContact O-N 3.44Å
126I98.3Very high97.9Very high4 Ų460.1 Ų60.12%0.02132%0.317CS..Hα-helixtrans-57.3-49.5171.7-73164.3000110.8L25 L44 L79 V81 V83 M118 Q122 I123 K128 A129 A130L25-I126 HydrophobicContact CD1-CD1 3.93Å; L44-I126 HydrophobicContact CD1-CG2 3.84Å; L79-I126 HydrophobicContact CB-CG2 4.25Å; L79-I126 HydrophobicContact CD1-CG2 4.05Å; L79-I126 HydrophobicContact CD2-CG2 4.12Å; L79-I126 HydrophobicContact CG-CG2 4.39Å; V81-I126 HydrophobicContact CG2-CB 4.37Å; V81-I126 HydrophobicContact CG2-CG1 3.63Å; V83-I126 HydrophobicContact CG2-CD1 3.81Å; V83-I126 HydrophobicContact CG2-CG1 4.21Å; M118-I126 HydrophobicContact CE-CD1 3.9Å; M118-I126 HydrophobicContact SD-CD1 3.76Å; Q122-I126 WeakPolarHBondContact O-CG1 3.39Å; Q122-I126 PolarHBondContact O-N 3.1Å; I123-I126 WeakPolarHBondContact O-CB 3.28Å; I123-I126 PolarHBondContact O-N 2.94Å; I126-K128 VanDerWaalsContact C-N 3.31Å; I126-K128 PolarHBondContact O-N 3.28Å; I126-A129 PolarHBondContact O-N 3.18Å; I126-A130 WeakPolarHBondContact O-CB 3.45Å; I126-A130 PolarHBondContact O-N 2.66Å
127E98.4Very high97.8Very high45 Ų4562.3 Ų62.321%0.2133%0.327CS..Hα-helixtrans-61.9-38.2-179.2-70.9173.3137.600112.9L44 I123 R124 E125 A131 R146L44-E127 HydrophobicContact CD2-CG 4.11Å; I123-E127 WeakPolarHBondContact O-CG 3.45Å; I123-E127 PolarHBondContact O-N 3.33Å; R124-E127 PolarHBondContact O-N 3.49Å; E125-E127 PolarHBondContact O-N 3.29Å; E127-A131 PolarHBondContact O-N 2.69Å; E127-R146 WeakPolarHBondContact OE1-CD 3.16Å; E127-R146 WeakPolarHBondContact OE1-CG 3.23Å; E127-R146 IonicContact OE1-CZ 3.57Å; E127-R146 IonicContact OE1-NE 3.42Å; E127-R146 PolarHBondContact OE1-NE 2.87Å; E127-R146 IonicContact OE1-NH2 2.68Å; E127-R146 IonicContact OE2-CZ 3.49Å; E127-R146 IonicContact OE2-NE 2.85Å; E127-R146 PolarHBondContact OE2-NE 2.97Å; E127-R146 IonicContact OE2-NH2 3.42Å; E127-R146 PolarHBondContact OE2-NH2 3.47Å
128K98.3Very high97.8Very high118 Ų11859.6 Ų59.651%0.51333%0.33SS..Hα-helixtrans-66.3-48.8175.4-69.9170.1-169.8168.90111.1R124 E125 I126 A131 S132R124-K128 WeakPolarHBondContact O-CG 3.4Å; R124-K128 PolarHBondContact O-N 3.44Å; R124-K128 VanDerWaalsContact O-N 3.12Å; E125-K128 PolarHBondContact O-N 3.32Å; E125-K128 IonicContact OE1-NZ 2.71Å; E125-K128 PolarHBondContact OE1-NZ 3.08Å; E125-K128 IonicContact OE2-NZ 3.66Å; I126-K128 VanDerWaalsContact C-N 3.31Å; I126-K128 PolarHBondContact O-N 3.28Å; K128-A131 PolarHBondContact O-N 3.23Å; K128-S132 WeakPolarHBondContact O-CB 3.4Å; K128-S132 PolarHBondContact O-N 2.92Å; K128-S132 PolarHBondContact O-OG 2.78Å
129A98.4Very high97.7Very high11 Ų1164.6 Ų64.69%0.09136%0.356CS..Hα-helixtrans-65.1-43.3-178.300000111.8L79 V81 E125 I126 A131 S132 T133 A134L79-A129 CarbonylContact O-C 3.57Å; L79-A129 VanDerWaalsContact O-CB 3.28Å; L79-A129 WeakPolarHBondContact O-CB 3.28Å; V81-A129 HydrophobicContact CG1-CB 3.57Å; V81-A129 HydrophobicContact CG2-CB 4.33Å; E125-A129 WeakPolarHBondContact O-CB 3.07Å; E125-A129 PolarHBondContact O-N 3.44Å; I126-A129 PolarHBondContact O-N 3.18Å; A129-A131 PolarHBondContact O-N 3.31Å; A129-A131 VanDerWaalsContact O-N 3.11Å; A129-S132 PolarHBondContact O-N 3.49Å; A129-T133 PolarHBondContact O-N 2.74Å; A129-T133 PolarHBondContact O-OG1 2.81Å; A129-A134 PolarHBondContact O-N 2.82Å
130A98.1Very high97.7Very high1 Ų163.4 Ų63.41%0.00835%0.351CS..Hα-helixtrans-58.6-27.5178.100000113.2L79 I126 H137 M144L79-A130 WeakPolarHBondContact O-CA 3.21Å; L79-A130 PolarHBondContact O-N 3.14Å; I126-A130 WeakPolarHBondContact O-CB 3.45Å; I126-A130 PolarHBondContact O-N 2.66Å; A130-H137 WeakPolarHBondContact O-CB 3.17Å; A130-H137 PolarHBondContact O-ND1 2.86Å; A130-M144 HydrophobicContact CB-CG 3.52Å
131A97.3Very high97.7Very high62 Ų6262.3 Ų62.351%0.51235%0.346SS..Hα-helixtrans-96.9-8.6178.500000114.5E127 K128 A129E127-A131 PolarHBondContact O-N 2.69Å; K128-A131 PolarHBondContact O-N 3.23Å; A129-A131 PolarHBondContact O-N 3.31Å; A129-A131 VanDerWaalsContact O-N 3.11Å
132S96.4Very high97.7Very high92 Ų9261 Ų6164%0.64334%0.342SS*.Hα-helixtrans-129.5-31.3-170.360.50000115.1K128 A129K128-S132 WeakPolarHBondContact O-CB 3.4Å; K128-S132 PolarHBondContact O-N 2.92Å; K128-S132 PolarHBondContact O-OG 2.78Å; A129-S132 PolarHBondContact O-N 3.49Å
133T96.9Very high97.7Very high95 Ų9557.2 Ų57.258%0.58333%0.329SS*.THydrogen-bonded Turntrans-131.4-13.6-172.859.70000114.1A129A129-T133 PolarHBondContact O-N 2.74Å; A129-T133 PolarHBondContact O-OG1 2.81Å
134A97.7Very high97.7Very high11 Ų1159.1 Ų59.19%0.09134%0.338CS..  trans-60.8137.5175.500000111.6E78 A129 D136 H137E78-A134 VanDerWaalsContact O-CB 3.23Å; E78-A134 WeakPolarHBondContact O-CB 3.13Å; A129-A134 PolarHBondContact O-N 2.82Å; A134-D136 VanDerWaalsContact C-N 3.3Å; A134-D136 PolarHBondContact O-N 2.85Å; A134-H137 HydrophobicContact CB-CB 4.3Å
135A97.6Very high97.8Very high70 Ų7056.5 Ų56.558%0.57933%0.334SS*.THydrogen-bonded Turntrans-68.5-33.6-177.600000111.6E77E77-A135 PolarHBondContact O-N 3.12Å
136D97.5Very high97.8Very high26 Ų2655.9 Ų55.914%0.13933%0.327CS..THydrogen-bonded Turntrans-91.6-0.2-173.7-60.7-26.4000113.9E77 A134 G138 L139 E140 V141E77-D136 WeakPolarHBondContact CB-OD2 3.29Å; E77-D136 PolarHBondContact O-N 2.91Å; A134-D136 VanDerWaalsContact C-N 3.3Å; A134-D136 PolarHBondContact O-N 2.85Å; D136-G138 PolarHBondContact O-N 3.07Å; D136-L139 PolarHBondContact O-N 2.99Å; D136-E140 HydrophobicContact CB-CB 4.23Å; D136-E140 PolarHBondContact O-N 3.42Å; D136-V141 HydrophobicContact CB-CG2 4.2Å; D136-V141 PolarHBondContact O-N 2.68Å; D136-V141 VanDerWaalsContact O-N 3.08Å
137H97.4Very high97.8Very high82 Ų8255.9 Ų55.938%0.3833%0.327SS..BIsolated β-bridgetrans-62.8121.2177.8-172.978.5000111.2A130 A134 L139 V141A130-H137 WeakPolarHBondContact O-CB 3.17Å; A130-H137 PolarHBondContact O-ND1 2.86Å; A134-H137 HydrophobicContact CB-CB 4.3Å; H137-L139 VanDerWaalsContact C-N 3.28Å; H137-V141 WeakPolarHBondContact CA-O 3.35Å
138G97.1Very high97.8Very high50 Ų5054.8 Ų54.852%0.51532%0.324SS..THydrogen-bonded Turntrans82.80.6-176.800000114.5D136 V141D136-G138 PolarHBondContact O-N 3.07Å; G138-V141 PolarHBondContact N-O 2.89Å
139L97.1Very high97.8Very high122 Ų12250 Ų5064%0.63930%0.304SS*.THydrogen-bonded Turntrans-113.2-93174-60.7178000109.4F49 D136 H137F49-L139 WeakPolarHBondContact CB-O 3.46Å; D136-L139 PolarHBondContact O-N 2.99Å; H137-L139 VanDerWaalsContact C-N 3.28Å
140E97.1Very high97.7Very high103 Ų10352 Ų5248%0.48131%0.309SS..THydrogen-bonded Turntrans-76.6-30.5179.6-56.5-155.3-172.800112.3R48 F49 D136R48-E140 CarbonylContact C-O 3.58Å; R48-E140 WeakPolarHBondContact CA-O 3.36Å; F49-E140 HydrophobicContact CD1-CB 4.41Å; F49-E140 PolarHBondContact N-O 3.42Å; D136-E140 HydrophobicContact CB-CB 4.23Å; D136-E140 PolarHBondContact O-N 3.42Å
141V98.3Very high97.5Very high0 Ų055.6 Ų55.60%033%0.331CS..EExtended strand (participates in β ladder)trans-114115.6-179.6-1770000110.2Q46 E78 D136 H137 G138Q46-V141 HydrophobicContact CB-CG1 4.05Å; Q46-V141 HydrophobicContact CG-CG1 4.4Å; E78-V141 HydrophobicContact CB-CG2 3.99Å; E78-V141 HydrophobicContact CG-CG2 3.74Å; D136-V141 HydrophobicContact CB-CG2 4.2Å; D136-V141 PolarHBondContact O-N 2.68Å; D136-V141 VanDerWaalsContact O-N 3.08Å; H137-V141 WeakPolarHBondContact CA-O 3.35Å; G138-V141 PolarHBondContact N-O 2.89Å
142L98.3Very high97.3Very high87 Ų8754 Ų5446%0.45532%0.315SS..EExtended strand (participates in β ladder)trans-92.4-4.9-178.1-55.8-174.9000113.6M47 R48M47-L142 HydrophobicContact CB-CB 4.17Å; M47-L142 HydrophobicContact CG-CB 3.89Å; M47-L142 HydrophobicContact CG-CD1 4.23Å; M47-L142 PolarHBondContact O-N 2.85Å; R48-L142 WeakPolarHBondContact O-CD1 3.35Å
143G98Very high96.9Very high17 Ų1760.4 Ų60.418%0.17533%0.331CS..EExtended strand (participates in β ladder)trans149.6143.5171.900000113.9Q46 M47Q46-G143 WeakPolarHBondContact CA-O 3.3Å; M47-G143 PolarHBondContact N-O 2.98Å
144M98Very high96.4Very high40 Ų4061.2 Ų61.220%0.19734%0.341CS..EExtended strand (participates in β ladder)trans-75.7142.2174-65.7-60-7200111.2L44 Q46 P56 L79 A130L44-M144 HydrophobicContact CB-CE 3.8Å; L44-M144 HydrophobicContact CD1-CE 3.88Å; L44-M144 HydrophobicContact CG-CE 4.31Å; Q46-M144 HydrophobicContact CB-SD 3.68Å; P56-M144 HydrophobicContact CG-CE 3.98Å; P56-M144 HydrophobicContact CG-SD 4.47Å; L79-M144 HydrophobicContact CD2-CE 3.86Å; L79-M144 HydrophobicContact CD2-SD 3.87Å; A130-M144 HydrophobicContact CB-CG 3.52Å
145V98.6Very high95.8Very high49 Ų4962.3 Ų62.330%0.29735%0.353SS..EExtended strand (participates in β ladder)trans-132.8141.8175.8-61.30000110.6M45 L53 F161M45-V145 HydrophobicContact CB-CG2 3.99Å; M45-V145 PolarHBondContact N-O 2.95Å; M45-V145 PolarHBondContact O-N 2.98Å; M45-V145 VanDerWaalsContact O-O 3.1Å; L53-V145 HydrophobicContact CD2-CG2 4.02Å; V145-F161 HydrophobicContact CG2-CE2 4.17Å; V145-F161 HydrophobicContact CG2-CZ 4.44Å
146R98.6Very high95.5Very high89 Ų8959.7 Ų59.734%0.33633%0.333SS..EExtended strand (participates in β ladder)trans-85.4135.6167.5-62.4-174.6179.5-164.2-2.3109.9I42 V43 L44 E127 P148I42-R146 HydrophobicContact CG2-CB 4.47Å; I42-R146 HydrophobicContact CG2-CG 3.82Å; V43-R146 CarbonylContact O-C 3.6Å; V43-R146 WeakPolarHBondContact O-CA 3.27Å; L44-R146 HydrophobicContact CD2-CG 4.11Å; E127-R146 WeakPolarHBondContact OE1-CD 3.16Å; E127-R146 WeakPolarHBondContact OE1-CG 3.23Å; E127-R146 IonicContact OE1-CZ 3.57Å; E127-R146 IonicContact OE1-NE 3.42Å; E127-R146 PolarHBondContact OE1-NE 2.87Å; E127-R146 IonicContact OE1-NH2 2.68Å; E127-R146 IonicContact OE2-CZ 3.49Å; E127-R146 IonicContact OE2-NE 2.85Å; E127-R146 PolarHBondContact OE2-NE 2.97Å; E127-R146 IonicContact OE2-NH2 3.42Å; E127-R146 PolarHBondContact OE2-NH2 3.47Å; R146-P148 WeakPolarHBondContact O-CD 3.23Å
147V98.7Very high95.5Very high3 Ų359 Ų592%0.01833%0.332CS..  trans-72.4120.5171.7-172.40000109.4V43 M45 L149 L158 F161 L174V43-V147 HydrophobicContact CB-CB 4.02Å; V43-V147 HydrophobicContact CB-CG2 3.88Å; V43-V147 HydrophobicContact CG1-CB 4.42Å; V43-V147 HydrophobicContact CG1-CG2 3.76Å; V43-V147 PolarHBondContact O-N 2.78Å; M45-V147 HydrophobicContact CG-CG2 3.83Å; M45-V147 HydrophobicContact SD-CG2 4Å; V147-L149 HydrophobicContact CB-CD2 4.17Å; V147-L149 HydrophobicContact CG1-CD2 3.64Å; V147-L149 PolarHBondContact O-N 3.47Å; V147-L158 HydrophobicContact CG1-CD1 4.04Å; V147-F161 HydrophobicContact CB-CE1 4.24Å; V147-F161 HydrophobicContact CB-CZ 4.34Å; V147-F161 HydrophobicContact CG1-CD1 3.7Å; V147-F161 HydrophobicContact CG1-CE1 3.73Å; V147-F161 HydrophobicContact CG1-CG 4.23Å; V147-F161 HydrophobicContact CG1-CZ 4.29Å; V147-F161 HydrophobicContact CG2-CE1 3.82Å; V147-F161 HydrophobicContact CG2-CZ 3.79Å; V147-L174 HydrophobicContact CG1-CD2 4.23Å; V147-L174 HydrophobicContact CG2-CD1 4.18Å; V147-L174 HydrophobicContact CG2-CD2 4.44Å
148P98.1Very high95.5Very high23 Ų2355.1 Ų55.115%0.14931%0.314CS..  trans-80.390.4179.732.3-33.8000110.4R146 Y150 G157 L158 F161R146-P148 WeakPolarHBondContact O-CD 3.23Å; P148-Y150 HydrophobicContact CB-CD1 4.46Å; P148-Y150 HydrophobicContact CB-CE1 3.79Å; P148-Y150 HydrophobicContact CB-CE2 4.06Å; P148-Y150 PolarHBondContact O-N 3.1Å; P148-G157 CarbonylContact O-C 3.47Å; P148-L158 WeakPolarHBondContact O-CA 3.33Å; P148-L158 WeakPolarHBondContact O-CB 3.13Å; P148-L158 PolarHBondContact O-N 3.47Å; P148-F161 VanDerWaalsContact CD-CD2 3.43Å; P148-F161 HydrophobicContact CG-CB 3.76Å; P148-F161 HydrophobicContact CG-CD2 4.18Å; P148-F161 HydrophobicContact CG-CG 4.21Å
149L97.9Very high95.4Very high17 Ų1753 Ų539%0.08929%0.291CS..  trans-72-9.4-175.4-58.4-174.2000115.1Y41 V43 V147 L158 L178 L183 V184Y41-L149 HydrophobicContact CD2-CD1 4.34Å; V43-L149 HydrophobicContact CG2-CD1 4.19Å; V147-L149 HydrophobicContact CB-CD2 4.17Å; V147-L149 HydrophobicContact CG1-CD2 3.64Å; V147-L149 PolarHBondContact O-N 3.47Å; L149-L158 HydrophobicContact CD2-CD1 4.17Å; L149-L178 HydrophobicContact CD1-CD2 4.21Å; L149-L178 HydrophobicContact CD2-CD1 4.03Å; L149-L178 HydrophobicContact CD2-CD2 3.62Å; L149-L178 HydrophobicContact CD2-CG 4.49Å; L149-L183 HydrophobicContact CD1-CB 4.13Å; L149-V184 HydrophobicContact CB-CG2 4.08Å; L149-V184 HydrophobicContact CD1-CG2 4.26Å; L149-V184 HydrophobicContact CD2-CG2 4.1Å; L149-V184 HydrophobicContact CG-CG2 4.39Å
150Y96Very high95.4Very high53 Ų5350.1 Ų50.121%0.20828%0.281CS..  trans-79.5167.1175.653.1-98.5000111.7L33 I37 I39 P148 T152 G157 L158L33-Y150 HydrophobicContact CB-CE1 4.49Å; L33-Y150 HydrophobicContact CD2-CD2 4.14Å; L33-Y150 HydrophobicContact CD2-CE1 4.26Å; L33-Y150 HydrophobicContact CD2-CE2 3.52Å; I37-Y150 HydrophobicContact CG2-CD2 4.45Å; I37-Y150 HydrophobicContact CG2-CG 4.1Å; I39-Y150 HydrophobicContact CG1-CD1 4.1Å; I39-Y150 HydrophobicContact CG1-CE1 4.17Å; P148-Y150 HydrophobicContact CB-CD1 4.46Å; P148-Y150 HydrophobicContact CB-CE1 3.79Å; P148-Y150 HydrophobicContact CB-CE2 4.06Å; P148-Y150 PolarHBondContact O-N 3.1Å; Y150-T152 HydrophobicContact CD2-CG2 4.16Å; Y150-T152 HydrophobicContact CE2-CG2 4.21Å; Y150-G157 WeakPolarHBondContact O-CA 3.36Å; Y150-L158 PolarHBondContact O-N 3.09Å
151T93.9Very high95.5Very high77 Ų7746 Ų4647%0.47226%0.261SS..BIsolated β-bridgetrans-126.9130.9167.7-61.70000109.6G156T151-G156 CarbonylContact C-O 3.56Å; T151-G156 WeakPolarHBondContact CA-O 3.49Å
152T93.3Very high95.4Very high27 Ų2746 Ų4617%0.16626%0.261CS..  trans-89.7163.3177.4750000111I37 Y150 S154 G155 G156I37-T152 HydrophobicContact CD1-CG2 4.29Å; Y150-T152 HydrophobicContact CD2-CG2 4.16Å; Y150-T152 HydrophobicContact CE2-CG2 4.21Å; T152-S154 PolarHBondContact O-N 2.99Å; T152-S154 VanDerWaalsContact O-N 3.15Å; T152-S154 PolarHBondContact OG1-N 2.95Å; T152-S154 PolarHBondContact OG1-OG 2.86Å; T152-G155 PolarHBondContact O-N 2.8Å; T152-G156 PolarHBondContact N-O 2.87Å; T152-G156 WeakPolarHBondContact OG1-CA 3.17Å; T152-G156 PolarHBondContact OG1-N 2.93Å
153K88.6Confident95.3Very high227 Ų22742.7 Ų42.799%0.98725%0.246SC*.THydrogen-bonded Turntrans-58.5-26.5175.4-65.9-173.9178.4-175.20113.7G155K153-G155 VanDerWaalsContact C-N 3.26Å
154S86.8Confident95.3Very high112 Ų11246.2 Ų46.278%0.78326%0.257SS*.THydrogen-bonded Turntrans-87.78.8177.164.10000113T152 G156T152-S154 PolarHBondContact O-N 2.99Å; T152-S154 VanDerWaalsContact O-N 3.15Å; T152-S154 PolarHBondContact OG1-N 2.95Å; T152-S154 PolarHBondContact OG1-OG 2.86Å; S154-G156 VanDerWaalsContact C-N 3.34Å
155G84.6Confident95.3Very high34 Ų3447.8 Ų47.835%0.35127%0.272SS..SBendtrans76.317.1-178.500000114.7T152 K153 S159 C160T152-G155 PolarHBondContact O-N 2.8Å; K153-G155 VanDerWaalsContact C-N 3.26Å; G155-S159 PolarHBondContact O-OG 2.06Å; G155-C160 PolarHBondContact O-SG 2.93Å
156G91.9Very high95.2Very high15 Ų1546.5 Ų46.516%0.15526%0.263CS..  trans-81.2166.717400000112.8T151 T152 S154T151-G156 CarbonylContact C-O 3.56Å; T151-G156 WeakPolarHBondContact CA-O 3.49Å; T152-G156 PolarHBondContact N-O 2.87Å; T152-G156 WeakPolarHBondContact OG1-CA 3.17Å; T152-G156 PolarHBondContact OG1-N 2.93Å; S154-G156 VanDerWaalsContact C-N 3.34Å
157G96.8Very high95.1Very high11 Ų1144.7 Ų44.711%0.11326%0.259CS..BIsolated β-bridgetrans100.8-130.5-179.200000112.1P148 Y150 S159 C160 F161P148-G157 CarbonylContact O-C 3.47Å; Y150-G157 WeakPolarHBondContact O-CA 3.36Å; G157-S159 VanDerWaalsContact C-N 3.32Å; G157-S159 PolarHBondContact O-N 2.92Å; G157-C160 PolarHBondContact O-N 2.81Å; G157-C160 VanDerWaalsContact O-N 3.15Å; G157-F161 PolarHBondContact O-N 3.12Å
158L97.4Very high94.8Very high1 Ų147.2 Ų47.21%0.00529%0.286CS..Hα-helixtrans-58.5-41.5-169.2-176.659.4000112.9V147 P148 L149 Y150 F161 L162 L178 V184 L189 A192V147-L158 HydrophobicContact CG1-CD1 4.04Å; P148-L158 WeakPolarHBondContact O-CA 3.33Å; P148-L158 WeakPolarHBondContact O-CB 3.13Å; P148-L158 PolarHBondContact O-N 3.47Å; L149-L158 HydrophobicContact CD2-CD1 4.17Å; Y150-L158 PolarHBondContact O-N 3.09Å; L158-F161 PolarHBondContact O-N 3.13Å; L158-L162 HydrophobicContact CD1-CD1 4.19Å; L158-L162 HydrophobicContact CD1-CD2 4.48Å; L158-L162 HydrophobicContact CD1-CG 4.07Å; L158-L162 HydrophobicContact CG-CD1 4Å; L158-L162 HydrophobicContact CG-CG 4.32Å; L158-L162 VanDerWaalsContact O-CG 3.28Å; L158-L162 WeakPolarHBondContact O-CG 3.42Å; L158-L162 PolarHBondContact O-N 2.8Å; L158-L178 HydrophobicContact CD1-CD1 4.29Å; L158-L178 HydrophobicContact CD2-CD1 4.46Å; L158-V184 HydrophobicContact CD2-CG1 4.11Å; L158-V184 HydrophobicContact CD2-CG2 4.18Å; L158-L189 HydrophobicContact CD2-CD1 4.15Å; L158-A192 HydrophobicContact CB-CB 4.3Å; L158-A192 HydrophobicContact CD2-CB 4.08Å; L158-A192 HydrophobicContact CG-CB 3.98Å
159S95.8Very high94.6Very high6 Ų647 Ų474%0.04228%0.284CS..Hα-helixtrans-54.1-52.9174.743.80000112.4G155 G157 F161 L162 S163G155-S159 PolarHBondContact O-OG 2.06Å; G157-S159 VanDerWaalsContact C-N 3.32Å; G157-S159 PolarHBondContact O-N 2.92Å; S159-F161 VanDerWaalsContact C-N 3.33Å; S159-F161 PolarHBondContact O-N 3.28Å; S159-L162 PolarHBondContact O-N 2.92Å; S159-S163 PolarHBondContact O-N 2.9Å; S159-S163 PolarHBondContact O-OG 3.35Å; S159-S163 VanDerWaalsContact O-OG 3.09Å
160C96.9Very high94.6Very high62 Ų6246.3 Ų46.342%0.41928%0.281SS..Hα-helixtrans-64.7-38.8178.5-660000111.6G155 G157 S163 H164G155-C160 PolarHBondContact O-SG 2.93Å; G157-C160 PolarHBondContact O-N 2.81Å; G157-C160 VanDerWaalsContact O-N 3.15Å; C160-S163 WeakPolarHBondContact O-CB 3.42Å; C160-S163 PolarHBondContact O-N 3.45Å; C160-H164 PolarHBondContact O-CE1 3.3Å; C160-H164 PolarHBondContact O-ND1 3.39Å; C160-H164 VanDerWaalsContact O-ND1 3.1Å
161F98.2Very high94.6Very high15 Ų1547.5 Ų47.57%0.06629%0.285CS..Hα-helixtrans-61.9-46.3177.4-173.2-92.2000111.6M45 L53 V145 V147 P148 G157 L158 S159 S163 H164 F166 L174M45-F161 HydrophobicContact SD-CE1 3.83Å; M45-F161 HydrophobicContact SD-CZ 3.84Å; L53-F161 HydrophobicContact CD1-CE1 4.36Å; L53-F161 HydrophobicContact CD1-CE2 3.92Å; L53-F161 HydrophobicContact CD1-CZ 3.78Å; V145-F161 HydrophobicContact CG2-CE2 4.17Å; V145-F161 HydrophobicContact CG2-CZ 4.44Å; V147-F161 HydrophobicContact CB-CE1 4.24Å; V147-F161 HydrophobicContact CB-CZ 4.34Å; V147-F161 HydrophobicContact CG1-CD1 3.7Å; V147-F161 HydrophobicContact CG1-CE1 3.73Å; V147-F161 HydrophobicContact CG1-CG 4.23Å; V147-F161 HydrophobicContact CG1-CZ 4.29Å; V147-F161 HydrophobicContact CG2-CE1 3.82Å; V147-F161 HydrophobicContact CG2-CZ 3.79Å; P148-F161 VanDerWaalsContact CD-CD2 3.43Å; P148-F161 HydrophobicContact CG-CB 3.76Å; P148-F161 HydrophobicContact CG-CD2 4.18Å; P148-F161 HydrophobicContact CG-CG 4.21Å; G157-F161 PolarHBondContact O-N 3.12Å; L158-F161 PolarHBondContact O-N 3.13Å; S159-F161 VanDerWaalsContact C-N 3.33Å; S159-F161 PolarHBondContact O-N 3.28Å; F161-S163 PolarHBondContact O-N 3.22Å; F161-S163 VanDerWaalsContact O-N 3.16Å; F161-H164 WeakPolarHBondContact CA-ND1 3.38Å; F161-H164 WeakPolarHBondContact O-CB 3.47Å; F161-H164 PolarHBondContact O-N 3.21Å; F161-H164 PolarHBondContact O-ND1 3.17Å; F161-F166 AromaticContact CD1-CZ 3.98Å; F161-F166 HydrophobicContact CD1-CZ 3.98Å; F161-F166 AromaticContact CE1-CE1 3.86Å; F161-F166 HydrophobicContact CE1-CE1 3.86Å; F161-F166 AromaticContact CE1-CZ 3.7Å; F161-F166 HydrophobicContact CE1-CZ 3.7Å; F161-F166 HydrophobicContact CZ-CE1 4.48Å; F161-F166 HydrophobicContact CZ-CZ 4.49Å; F161-L174 HydrophobicContact CD1-CD2 4.32Å; F161-L174 HydrophobicContact CE1-CD2 3.88Å
162L97.6Very high94.7Very high0 Ų046.4 Ų46.40%028%0.281CS..Hα-helixtrans-63.9-20.7179.3-68.7175.3000113.6L158 S159 H164 R171 L174 M175 L189 A192 L193 S196L158-L162 HydrophobicContact CD1-CD1 4.19Å; L158-L162 HydrophobicContact CD1-CD2 4.48Å; L158-L162 HydrophobicContact CD1-CG 4.07Å; L158-L162 HydrophobicContact CG-CD1 4Å; L158-L162 HydrophobicContact CG-CG 4.32Å; L158-L162 VanDerWaalsContact O-CG 3.28Å; L158-L162 WeakPolarHBondContact O-CG 3.42Å; L158-L162 PolarHBondContact O-N 2.8Å; S159-L162 PolarHBondContact O-N 2.92Å; L162-H164 VanDerWaalsContact C-N 3.28Å; L162-H164 PolarHBondContact O-N 2.8Å; L162-R171 PolarHBondContact O-NE 3.37Å; L162-L174 HydrophobicContact CD2-CD2 4.1Å; L162-M175 HydrophobicContact CD2-CG 4.5Å; L162-L189 HydrophobicContact CD1-CD1 4.12Å; L162-A192 HydrophobicContact CD1-CB 4.04Å; L162-L193 HydrophobicContact CD1-CD2 3.95Å; L162-L193 HydrophobicContact CD1-CG 4.35Å; L162-S196 VanDerWaalsContact C-OG 3.26Å; L162-S196 PolarHBondContact O-OG 3.18Å
163S96.8Very high94.9Very high19 Ų1945.4 Ų45.413%0.13327%0.274CS..THydrogen-bonded Turntrans-76.8-6.1174.1-54.20000114.8S159 C160 F161 S196 T199 H200S159-S163 PolarHBondContact O-N 2.9Å; S159-S163 PolarHBondContact O-OG 3.35Å; S159-S163 VanDerWaalsContact O-OG 3.09Å; C160-S163 WeakPolarHBondContact O-CB 3.42Å; C160-S163 PolarHBondContact O-N 3.45Å; F161-S163 PolarHBondContact O-N 3.22Å; F161-S163 VanDerWaalsContact O-N 3.16Å; S163-S196 WeakPolarHBondContact CA-OG 3.43Å; S163-S196 PolarHBondContact N-OG 3.06Å; S163-S196 VanDerWaalsContact OG-CA 3.24Å; S163-S196 WeakPolarHBondContact OG-CA 3.49Å; S163-S196 WeakPolarHBondContact OG-CB 3.23Å; S163-S196 PolarHBondContact OG-OG 2.83Å; S163-T199 WeakPolarHBondContact OG-CB 3.18Å; S163-H200 PolarHBondContact O-CE1 3.2Å
164H97.7Very high95.4Very high91 Ų9134.6 Ų34.642%0.42123%0.227SC..SBendtrans-70.6166.4172.1-70.178.1000111.3L53 C160 F161 L162 F166 R171L53-H164 HydrophobicContact CD1-CB 3.5Å; L53-H164 HydrophobicContact CG-CB 4.36Å; C160-H164 PolarHBondContact O-CE1 3.3Å; C160-H164 PolarHBondContact O-ND1 3.39Å; C160-H164 VanDerWaalsContact O-ND1 3.1Å; F161-H164 WeakPolarHBondContact CA-ND1 3.38Å; F161-H164 WeakPolarHBondContact O-CB 3.47Å; F161-H164 PolarHBondContact O-N 3.21Å; F161-H164 PolarHBondContact O-ND1 3.17Å; L162-H164 VanDerWaalsContact C-N 3.28Å; L162-H164 PolarHBondContact O-N 2.8Å; H164-F166 HydrophobicContact CB-CE2 4.13Å; H164-F166 WeakPolarHBondContact O-CD2 3.43Å; H164-F166 VanDerWaalsContact O-CE2 3.24Å; H164-F166 WeakPolarHBondContact O-CE2 3.45Å; H164-R171 PolarHBondContact O-NH2 3.07Å
165S96.9Very high95.8Very high73 Ų7331.2 Ų31.251%0.5120%0.2SC..  trans-82.3134172.1-59.50000110.5L52 L53L52-S165 VanDerWaalsContact CD2-CB 3.43Å; L53-S165 PolarHBondContact N-O 3.21Å
166F97.8Very high96.4Very high21 Ų2133 Ų339%0.09220%0.201CC..BIsolated β-bridgetrans-120.9147.7-178.3-68-104.2000110.4M45 L53 F161 H164 R171 L174M45-F166 HydrophobicContact CE-CD1 3.83Å; M45-F166 HydrophobicContact CE-CE1 3.83Å; M45-F166 HydrophobicContact SD-CD1 4.48Å; M45-F166 HydrophobicContact SD-CE1 3.87Å; L53-F166 HydrophobicContact CB-CD1 3.86Å; L53-F166 HydrophobicContact CB-CE1 4.03Å; L53-F166 HydrophobicContact CB-CG 4.3Å; L53-F166 HydrophobicContact CD1-CE1 4.19Å; L53-F166 HydrophobicContact CD1-CZ 4.09Å; L53-F166 CarbonylContact O-C 3.49Å; L53-F166 VanDerWaalsContact O-CA 3.24Å; L53-F166 WeakPolarHBondContact O-CA 3.2Å; F161-F166 AromaticContact CD1-CZ 3.98Å; F161-F166 HydrophobicContact CD1-CZ 3.98Å; F161-F166 AromaticContact CE1-CE1 3.86Å; F161-F166 HydrophobicContact CE1-CE1 3.86Å; F161-F166 AromaticContact CE1-CZ 3.7Å; F161-F166 HydrophobicContact CE1-CZ 3.7Å; F161-F166 HydrophobicContact CZ-CE1 4.48Å; F161-F166 HydrophobicContact CZ-CZ 4.49Å; H164-F166 HydrophobicContact CB-CE2 4.13Å; H164-F166 WeakPolarHBondContact O-CD2 3.43Å; H164-F166 VanDerWaalsContact O-CE2 3.24Å; H164-F166 WeakPolarHBondContact O-CE2 3.45Å; F166-R171 HydrophobicContact CB-CB 3.86Å; F166-R171 HydrophobicContact CD1-CB 4.07Å; F166-R171 HydrophobicContact CD2-CB 3.96Å; F166-R171 HydrophobicContact CD2-CG 4Å; F166-R171 HydrophobicContact CE2-CG 4.16Å; F166-R171 HydrophobicContact CG-CB 3.7Å; F166-R171 HydrophobicContact CG-CG 4.21Å; F166-L174 HydrophobicContact CE1-CD2 4.31Å
167I95.6Very high96.6Very high51 Ų5132.5 Ų32.526%0.26220%0.195SC..  trans-74.3135.1174.3-174.162.6000110.7L52 L53 V169 A170L52-I167 HydrophobicContact CB-CB 4.1Å; L52-I167 HydrophobicContact CD1-CB 4.2Å; L52-I167 HydrophobicContact CD1-CD1 3.72Å; L53-I167 PolarHBondContact O-N 3.47Å; I167-V169 PolarHBondContact O-N 3Å; I167-V169 VanDerWaalsContact O-N 3.11Å; I167-A170 HydrophobicContact CG2-CB 4.03Å; I167-A170 WeakPolarHBondContact O-CB 3.43Å; I167-A170 PolarHBondContact O-N 3.23Å
168G91.7Very high96.7Very high57 Ų5732 Ų3259%0.58819%0.19SC*.THydrogen-bonded Turntrans47.1-116.5169.800000113.9
169V94.6Very high96.7Very high18 Ų1835.2 Ų35.211%0.10921%0.206CC..THydrogen-bonded Turntrans-100.87.8-178.6-59.90000113.5P97 L111 I167 R171 S172 Q173P97-V169 VanDerWaalsContact CD-CG1 3.49Å; P97-V169 HydrophobicContact CG-CG1 3.64Å; L111-V169 HydrophobicContact CD1-CG1 4.47Å; L111-V169 HydrophobicContact CD1-CG2 3.5Å; L111-V169 VanDerWaalsContact CD1-CG2 3.5Å; I167-V169 PolarHBondContact O-N 3Å; I167-V169 VanDerWaalsContact O-N 3.11Å; V169-R171 VanDerWaalsContact C-N 3.27Å; V169-R171 PolarHBondContact O-N 3.47Å; V169-S172 PolarHBondContact O-N 3.02Å; V169-S172 VanDerWaalsContact O-N 3.08Å; V169-S172 PolarHBondContact O-OG 3.13Å; V169-Q173 HydrophobicContact CG2-CG 4.27Å; V169-Q173 WeakPolarHBondContact O-CB 3.4Å; V169-Q173 PolarHBondContact O-N 3.45Å
170A97.3Very high96.7Very high3 Ų340.5 Ų40.53%0.02523%0.226CC..Hα-helixtrans-58.8-37.2-17500000112.3M45 F55 I167 Q173 L174M45-A170 HydrophobicContact CE-CB 4.3Å; F55-A170 HydrophobicContact CD2-CB 4.14Å; F55-A170 HydrophobicContact CE2-CB 4.38Å; F55-A170 WeakPolarHBondContact CE2-O 3.23Å; I167-A170 HydrophobicContact CG2-CB 4.03Å; I167-A170 WeakPolarHBondContact O-CB 3.43Å; I167-A170 PolarHBondContact O-N 3.23Å; A170-Q173 PolarHBondContact O-N 3.05Å; A170-L174 WeakPolarHBondContact O-CB 3.39Å; A170-L174 PolarHBondContact O-N 3.31Å
171R97.1Very high96.7Very high78 Ų7839.9 Ų39.929%0.29422%0.218SC..Hα-helixtrans-62.5-46.8175.7-166.6-173.6-71.4139.6-7.9111.8L162 H164 F166 V169 L174 M175L162-R171 PolarHBondContact O-NE 3.37Å; H164-R171 PolarHBondContact O-NH2 3.07Å; F166-R171 HydrophobicContact CB-CB 3.86Å; F166-R171 HydrophobicContact CD1-CB 4.07Å; F166-R171 HydrophobicContact CD2-CB 3.96Å; F166-R171 HydrophobicContact CD2-CG 4Å; F166-R171 HydrophobicContact CE2-CG 4.16Å; F166-R171 HydrophobicContact CG-CB 3.7Å; F166-R171 HydrophobicContact CG-CG 4.21Å; V169-R171 VanDerWaalsContact C-N 3.27Å; V169-R171 PolarHBondContact O-N 3.47Å; R171-L174 PolarHBondContact O-N 3.49Å; R171-M175 HydrophobicContact CG-SD 4.25Å; R171-M175 VanDerWaalsContact O-CG 3.27Å; R171-M175 WeakPolarHBondContact O-CG 3.02Å; R171-M175 PolarHBondContact O-N 3.34Å
172S95.4Very high96.7Very high53 Ų5346.2 Ų46.237%0.37125%0.247SC..Hα-helixtrans-67.4-37.717840.20000112.1V169 M175 N176V169-S172 PolarHBondContact O-N 3.02Å; V169-S172 VanDerWaalsContact O-N 3.08Å; V169-S172 PolarHBondContact O-OG 3.13Å; S172-M175 PolarHBondContact O-N 2.97Å; S172-N176 VanDerWaalsContact O-CB 3.29Å; S172-N176 WeakPolarHBondContact O-CB 3.38Å; S172-N176 PolarHBondContact O-N 3.26Å; S172-N176 PolarHBondContact O-ND2 2.66Å
173Q97.3Very high96.7Very high6 Ų646.4 Ų46.43%0.02825%0.248CC..Hα-helixtrans-59.5-45.5173.9-86170.2-18.200112.1F55 E92 F113 V169 A170 S177F55-Q173 HydrophobicContact CD2-CB 4.46Å; F55-Q173 HydrophobicContact CE2-CB 3.88Å; E92-Q173 WeakPolarHBondContact OE1-CG 3.5Å; E92-Q173 PolarHBondContact OE1-NE2 3.4Å; F113-Q173 HydrophobicContact CB-CG 4.47Å; F113-Q173 HydrophobicContact CD1-CB 4.13Å; F113-Q173 HydrophobicContact CD1-CG 3.89Å; F113-Q173 HydrophobicContact CD2-CB 4.39Å; F113-Q173 VanDerWaalsContact CD2-CD 3.43Å; F113-Q173 HydrophobicContact CD2-CG 4.07Å; F113-Q173 HydrophobicContact CE1-CB 3.8Å; F113-Q173 HydrophobicContact CE1-CG 4.1Å; F113-Q173 HydrophobicContact CE2-CB 4.08Å; F113-Q173 HydrophobicContact CE2-CG 4.26Å; F113-Q173 HydrophobicContact CG-CB 4.41Å; F113-Q173 HydrophobicContact CG-CG 3.88Å; F113-Q173 HydrophobicContact CZ-CB 3.75Å; F113-Q173 HydrophobicContact CZ-CG 4.26Å; V169-Q173 HydrophobicContact CG2-CG 4.27Å; V169-Q173 WeakPolarHBondContact O-CB 3.4Å; V169-Q173 PolarHBondContact O-N 3.45Å; A170-Q173 PolarHBondContact O-N 3.05Å; Q173-S177 VanDerWaalsContact O-CB 3.3Å; Q173-S177 WeakPolarHBondContact O-CB 3.46Å; Q173-S177 PolarHBondContact O-N 2.72Å; Q173-S177 PolarHBondContact O-OG 2.72Å
174L98.4Very high96.6Very high0 Ų045.9 Ų45.90%024%0.244CC..Hα-helixtrans-57.4-56.1173.3178.262.1000110.3L24 V43 M45 F55 V147 F161 L162 F166 A170 R171 N176 S177 L178L24-L174 HydrophobicContact CD1-CD1 4.33Å; V43-L174 HydrophobicContact CG1-CD1 4.12Å; M45-L174 HydrophobicContact SD-CD2 3.93Å; F55-L174 HydrophobicContact CE2-CB 4.22Å; F55-L174 HydrophobicContact CZ-CB 3.82Å; F55-L174 HydrophobicContact CZ-CD1 4.08Å; V147-L174 HydrophobicContact CG1-CD2 4.23Å; V147-L174 HydrophobicContact CG2-CD1 4.18Å; V147-L174 HydrophobicContact CG2-CD2 4.44Å; F161-L174 HydrophobicContact CD1-CD2 4.32Å; F161-L174 HydrophobicContact CE1-CD2 3.88Å; L162-L174 HydrophobicContact CD2-CD2 4.1Å; F166-L174 HydrophobicContact CE1-CD2 4.31Å; A170-L174 WeakPolarHBondContact O-CB 3.39Å; A170-L174 PolarHBondContact O-N 3.31Å; R171-L174 PolarHBondContact O-N 3.49Å; L174-N176 PolarHBondContact O-N 2.99Å; L174-S177 PolarHBondContact O-N 3.21Å; L174-S177 VanDerWaalsContact O-N 3.12Å; L174-L178 HydrophobicContact CD1-CD1 4.28Å; L174-L178 HydrophobicContact CD1-CD2 4.2Å; L174-L178 HydrophobicContact CD1-CG 4.09Å; L174-L178 HydrophobicContact CG-CD1 4.19Å; L174-L178 HydrophobicContact CG-CG 4.35Å; L174-L178 WeakPolarHBondContact O-CG 3.23Å; L174-L178 PolarHBondContact O-N 2.91Å
175M97Very high96.5Very high42 Ų4243.8 Ų43.821%0.20724%0.24CC..Hα-helixtrans-58-46.1-177-68.6170.156.300112.8L162 R171 S172 S177 L178 L179 L193L162-M175 HydrophobicContact CD2-CG 4.5Å; R171-M175 HydrophobicContact CG-SD 4.25Å; R171-M175 VanDerWaalsContact O-CG 3.27Å; R171-M175 WeakPolarHBondContact O-CG 3.02Å; R171-M175 PolarHBondContact O-N 3.34Å; S172-M175 PolarHBondContact O-N 2.97Å; M175-S177 VanDerWaalsContact C-N 3.29Å; M175-S177 PolarHBondContact O-N 3.03Å; M175-L178 PolarHBondContact O-N 3.24Å; M175-L179 PolarHBondContact O-N 2.95Å; M175-L193 HydrophobicContact CE-CD1 3.4Å; M175-L193 VanDerWaalsContact CE-CD1 3.4Å; M175-L193 HydrophobicContact CE-CD2 3.41Å; M175-L193 VanDerWaalsContact CE-CD2 3.41Å; M175-L193 HydrophobicContact CE-CG 4.01Å; M175-L193 HydrophobicContact CG-CD2 4.46Å; M175-L193 HydrophobicContact SD-CD2 3.6Å; M175-L193 VanDerWaalsContact SD-CD2 3.6Å
176N95.6Very high96.5Very high72 Ų7244.6 Ų44.639%0.38524%0.244SC..Hα-helixtrans-61.7-40178.2-72.4-17.1000111.2S172 L174 R180S172-N176 VanDerWaalsContact O-CB 3.29Å; S172-N176 WeakPolarHBondContact O-CB 3.38Å; S172-N176 PolarHBondContact O-N 3.26Å; S172-N176 PolarHBondContact O-ND2 2.66Å; L174-N176 PolarHBondContact O-N 2.99Å; N176-R180 VanDerWaalsContact O-CB 3.24Å; N176-R180 WeakPolarHBondContact O-CB 3.33Å; N176-R180 PolarHBondContact O-N 2.82Å
177S97.8Very high96.4Very high4 Ų445.6 Ų45.63%0.02826%0.26CS..Hα-helixtrans-69.9-42.7179.1-58.10000112.1F113 Q173 L174 M175 L179 R180 L181F113-S177 WeakPolarHBondContact CE1-OG 3.37Å; Q173-S177 VanDerWaalsContact O-CB 3.3Å; Q173-S177 WeakPolarHBondContact O-CB 3.46Å; Q173-S177 PolarHBondContact O-N 2.72Å; Q173-S177 PolarHBondContact O-OG 2.72Å; L174-S177 PolarHBondContact O-N 3.21Å; L174-S177 VanDerWaalsContact O-N 3.12Å; M175-S177 VanDerWaalsContact C-N 3.29Å; M175-S177 PolarHBondContact O-N 3.03Å; S177-L179 VanDerWaalsContact C-N 3.26Å; S177-L179 PolarHBondContact O-N 2.76Å; S177-R180 PolarHBondContact O-N 3.33Å; S177-L181 VanDerWaalsContact O-CB 3.28Å; S177-L181 WeakPolarHBondContact O-CB 3.35Å; S177-L181 VanDerWaalsContact O-CG 3.3Å; S177-L181 WeakPolarHBondContact O-CG 3.1Å; S177-L181 PolarHBondContact O-N 3.02Å
178L97.9Very high96.3Very high1 Ų147 Ų471%0.00527%0.268CS..Hα-helixtrans-57.5-40.2176.4-65.7-177.8000111.8V43 L149 L158 L174 M175 H182 L183 V184 L189V43-L178 HydrophobicContact CG2-CD2 4.47Å; L149-L178 HydrophobicContact CD1-CD2 4.21Å; L149-L178 HydrophobicContact CD2-CD1 4.03Å; L149-L178 HydrophobicContact CD2-CD2 3.62Å; L149-L178 HydrophobicContact CD2-CG 4.49Å; L158-L178 HydrophobicContact CD1-CD1 4.29Å; L158-L178 HydrophobicContact CD2-CD1 4.46Å; L174-L178 HydrophobicContact CD1-CD1 4.28Å; L174-L178 HydrophobicContact CD1-CD2 4.2Å; L174-L178 HydrophobicContact CD1-CG 4.09Å; L174-L178 HydrophobicContact CG-CD1 4.19Å; L174-L178 HydrophobicContact CG-CG 4.35Å; L174-L178 WeakPolarHBondContact O-CG 3.23Å; L174-L178 PolarHBondContact O-N 2.91Å; M175-L178 PolarHBondContact O-N 3.24Å; L178-H182 PolarHBondContact O-N 2.94Å; L178-L183 HydrophobicContact CD2-CB 4.06Å; L178-L183 HydrophobicContact CD2-CD1 3.98Å; L178-L183 PolarHBondContact O-N 2.89Å; L178-V184 HydrophobicContact CD1-CG2 4.29Å; L178-V184 HydrophobicContact CD2-CG2 4.44Å; L178-L189 HydrophobicContact CD1-CD1 4.38Å
179L96.4Very high96.5Very high67 Ų6744.5 Ų44.535%0.35124%0.241SC..Hα-helixtrans-72.3-48.6176.7-71.4174.5000112.4M175 S177 L181 H182 P186 L189M175-L179 PolarHBondContact O-N 2.95Å; S177-L179 VanDerWaalsContact C-N 3.26Å; S177-L179 PolarHBondContact O-N 2.76Å; L179-L181 VanDerWaalsContact C-N 3.29Å; L179-L181 PolarHBondContact O-N 3.47Å; L179-H182 PolarHBondContact O-N 3.36Å; L179-H182 PolarHBondContact O-ND1 2.96Å; L179-P186 HydrophobicContact CD2-CB 4.27Å; L179-P186 HydrophobicContact CD2-CG 4.22Å; L179-L189 HydrophobicContact CD1-CD2 3.89Å; L179-L189 HydrophobicContact CD2-CD2 3.7Å; L179-L189 HydrophobicContact CG-CD2 3.53Å
180R95.9Very high96.6Very high118 Ų11848.6 Ų48.645%0.44526%0.259SS..Hα-helixtrans-61.1-38.7-177.3-174.4-174.2-57.3-165.67.7112.2V91 N176 S177V91-R180 PolarHBondContact O-NH1 2.84Å; V91-R180 VanDerWaalsContact O-NH1 3.07Å; N176-R180 VanDerWaalsContact O-CB 3.24Å; N176-R180 WeakPolarHBondContact O-CB 3.33Å; N176-R180 PolarHBondContact O-N 2.82Å; S177-R180 PolarHBondContact O-N 3.33Å
181L97.6Very high96.5Very high49 Ų4954 Ų5426%0.25728%0.283SS..THydrogen-bonded Turntrans-91.91.1-178.4-59.4173000112.8Y26 V115 S177 L179 L183Y26-L181 HydrophobicContact CD1-CD1 4.25Å; Y26-L181 HydrophobicContact CE1-CD1 3.82Å; Y26-L181 HydrophobicContact CE2-CD1 4.4Å; V115-L181 HydrophobicContact CG1-CD1 3.53Å; V115-L181 HydrophobicContact CG1-CD2 4.26Å; V115-L181 HydrophobicContact CG1-CG 4.41Å; S177-L181 VanDerWaalsContact O-CB 3.28Å; S177-L181 WeakPolarHBondContact O-CB 3.35Å; S177-L181 VanDerWaalsContact O-CG 3.3Å; S177-L181 WeakPolarHBondContact O-CG 3.1Å; S177-L181 PolarHBondContact O-N 3.02Å; L179-L181 VanDerWaalsContact C-N 3.29Å; L179-L181 PolarHBondContact O-N 3.47Å; L181-L183 HydrophobicContact CB-CD1 4.28Å; L181-L183 HydrophobicContact CB-CD2 3.92Å; L181-L183 HydrophobicContact CB-CG 3.74Å; L181-L183 HydrophobicContact CD1-CD1 4.17Å; L181-L183 PolarHBondContact O-N 2.82Å
182H97.4Very high96.5Very high147 Ų14750.4 Ų50.468%0.68127%0.271SS*.THydrogen-bonded Turntrans54.233.2-177.5-56.8-63.4000114.5L178 L179 V184L178-H182 PolarHBondContact O-N 2.94Å; L179-H182 PolarHBondContact O-N 3.36Å; L179-H182 PolarHBondContact O-ND1 2.96Å; H182-V184 VanDerWaalsContact C-N 3.3Å; H182-V184 PolarHBondContact O-N 3.29Å
183L97.6Very high96.5Very high4 Ų450.1 Ų50.12%0.02127%0.265CS..SBendtrans-72.7-28.5-179.8-54.3-173000111.9Y26 Y41 V43 L149 L178 L181Y26-L183 HydrophobicContact CD2-CD1 4.05Å; Y26-L183 HydrophobicContact CD2-CD2 4.16Å; Y26-L183 HydrophobicContact CE2-CD1 4.5Å; Y26-L183 HydrophobicContact CE2-CD2 4Å; Y26-L183 HydrophobicContact CG-CD1 4.47Å; Y41-L183 HydrophobicContact CD1-CD2 3.69Å; Y41-L183 HydrophobicContact CD2-CB 3.99Å; Y41-L183 HydrophobicContact CD2-CD2 4.02Å; Y41-L183 HydrophobicContact CE1-CD2 3.72Å; Y41-L183 HydrophobicContact CE2-CB 4.29Å; Y41-L183 HydrophobicContact CE2-CD2 4.07Å; Y41-L183 HydrophobicContact CG-CB 4.41Å; Y41-L183 HydrophobicContact CG-CD2 3.85Å; V43-L183 HydrophobicContact CG2-CD1 3.98Å; L149-L183 HydrophobicContact CD1-CB 4.13Å; L178-L183 HydrophobicContact CD2-CB 4.06Å; L178-L183 HydrophobicContact CD2-CD1 3.98Å; L178-L183 PolarHBondContact O-N 2.89Å; L181-L183 HydrophobicContact CB-CD1 4.28Å; L181-L183 HydrophobicContact CB-CD2 3.92Å; L181-L183 HydrophobicContact CB-CG 3.74Å; L181-L183 HydrophobicContact CD1-CD1 4.17Å; L181-L183 PolarHBondContact O-N 2.82Å
184V96.1Very high96.4Very high8 Ų855.6 Ų55.65%0.04829%0.285CS..SBendtrans-133.6146.2177.9-176.80000108.5L149 L158 L178 H182 D188 L189L149-V184 HydrophobicContact CB-CG2 4.08Å; L149-V184 HydrophobicContact CD1-CG2 4.26Å; L149-V184 HydrophobicContact CD2-CG2 4.1Å; L149-V184 HydrophobicContact CG-CG2 4.39Å; L158-V184 HydrophobicContact CD2-CG1 4.11Å; L158-V184 HydrophobicContact CD2-CG2 4.18Å; L178-V184 HydrophobicContact CD1-CG2 4.29Å; L178-V184 HydrophobicContact CD2-CG2 4.44Å; H182-V184 VanDerWaalsContact C-N 3.3Å; H182-V184 PolarHBondContact O-N 3.29Å; V184-D188 HydrophobicContact CG1-CB 3.71Å; V184-L189 HydrophobicContact CG1-CB 4.24Å
185S95.4Very high96.3Very high47 Ų4757 Ų5733%0.32930%0.295SS..  trans-69.3149.517682.40000110.6G187 D188 L189S185-G187 PolarHBondContact O-N 3.31Å; S185-D188 WeakPolarHBondContact CB-OD2 3.41Å; S185-D188 PolarHBondContact O-N 3.49Å; S185-D188 WeakPolarHBondContact OG-CB 3.44Å; S185-D188 PolarHBondContact OG-N 3.44Å; S185-D188 VanDerWaalsContact OG-N 3.1Å; S185-D188 PolarHBondContact OG-OD2 3.31Å; S185-L189 PolarHBondContact O-N 3.22Å
186P96.1Very high96.2Very high91 Ų9155.3 Ų55.359%0.59129%0.287SS*.Hα-helixtrans-57.3-34.4176.2-26.735.2000113.3L179 Q190L179-P186 HydrophobicContact CD2-CB 4.27Å; L179-P186 HydrophobicContact CD2-CG 4.22Å; P186-Q190 VanDerWaalsContact O-CB 3.31Å; P186-Q190 WeakPolarHBondContact O-CB 3.45Å; P186-Q190 PolarHBondContact O-N 2.84Å
187G96Very high96.1Very high42 Ų4258.5 Ų58.543%0.43330%0.3SS..Hα-helixtrans-65.9-49.3177.200000112.4S185 L189 Q190 E191S185-G187 PolarHBondContact O-N 3.31Å; G187-L189 VanDerWaalsContact C-N 3.33Å; G187-L189 PolarHBondContact O-N 3.25Å; G187-Q190 PolarHBondContact O-N 2.97Å; G187-E191 PolarHBondContact O-N 3.45Å
188D94.1Very high96Very high80 Ų8065.2 Ų65.243%0.42833%0.325SS..Hα-helixtrans-62.6-41.9178.8-60.5-36000111.1V184 S185 E191 A192V184-D188 HydrophobicContact CG1-CB 3.71Å; S185-D188 WeakPolarHBondContact CB-OD2 3.41Å; S185-D188 PolarHBondContact O-N 3.49Å; S185-D188 WeakPolarHBondContact OG-CB 3.44Å; S185-D188 PolarHBondContact OG-N 3.44Å; S185-D188 VanDerWaalsContact OG-N 3.1Å; S185-D188 PolarHBondContact OG-OD2 3.31Å; D188-E191 PolarHBondContact O-N 3.08Å; D188-A192 WeakPolarHBondContact O-CB 3.34Å; D188-A192 PolarHBondContact O-N 2.93Å
189L96Very high95.9Very high4 Ų467.6 Ų67.62%0.02134%0.339CS..Hα-helixtrans-64.7-42.5177-177.761.8000111.3L158 L162 L178 L179 V184 S185 G187 E191 A192 L193L158-L189 HydrophobicContact CD2-CD1 4.15Å; L162-L189 HydrophobicContact CD1-CD1 4.12Å; L178-L189 HydrophobicContact CD1-CD1 4.38Å; L179-L189 HydrophobicContact CD1-CD2 3.89Å; L179-L189 HydrophobicContact CD2-CD2 3.7Å; L179-L189 HydrophobicContact CG-CD2 3.53Å; V184-L189 HydrophobicContact CG1-CB 4.24Å; S185-L189 PolarHBondContact O-N 3.22Å; G187-L189 VanDerWaalsContact C-N 3.33Å; G187-L189 PolarHBondContact O-N 3.25Å; L189-E191 VanDerWaalsContact C-N 3.3Å; L189-E191 PolarHBondContact O-N 2.71Å; L189-A192 PolarHBondContact O-N 3.39Å; L189-L193 HydrophobicContact CD1-CD1 4.48Å; L189-L193 HydrophobicContact CD1-CG 4.42Å; L189-L193 HydrophobicContact CG-CD1 4.1Å; L189-L193 VanDerWaalsContact O-CG 3.24Å; L189-L193 WeakPolarHBondContact O-CG 3.28Å; L189-L193 PolarHBondContact O-N 2.93Å
190Q96.2Very high95.8Very high105 Ų10567.7 Ų67.749%0.49134%0.338SS..Hα-helixtrans-60.8-41.8177.1-168.6-176.325.700111.5P186 G187 L193 R194P186-Q190 VanDerWaalsContact O-CB 3.31Å; P186-Q190 WeakPolarHBondContact O-CB 3.45Å; P186-Q190 PolarHBondContact O-N 2.84Å; G187-Q190 PolarHBondContact O-N 2.97Å; Q190-L193 PolarHBondContact O-N 3.33Å; Q190-R194 WeakPolarHBondContact O-CG 3.26Å; Q190-R194 PolarHBondContact O-N 3.28Å
191E95.3Very high95.7Very high115 Ų11564.6 Ų64.654%0.53734%0.337SS..Hα-helixtrans-67.4-40.8177-177.1152.6-161.800112.6G187 D188 L189 L193 R194 S195G187-E191 PolarHBondContact O-N 3.45Å; D188-E191 PolarHBondContact O-N 3.08Å; L189-E191 VanDerWaalsContact C-N 3.3Å; L189-E191 PolarHBondContact O-N 2.71Å; E191-L193 VanDerWaalsContact C-N 3.32Å; E191-L193 PolarHBondContact O-N 3.12Å; E191-R194 PolarHBondContact O-N 2.93Å; E191-S195 WeakPolarHBondContact O-CB 3.2Å; E191-S195 PolarHBondContact O-N 3.26Å; E191-S195 PolarHBondContact O-OG 3.26Å
192A96.2Very high95.6Very high3 Ų367.4 Ų67.43%0.02535%0.349CS..Hα-helixtrans-59.3-42.8173.900000111.7L158 L162 D188 L189 S195 S196L158-A192 HydrophobicContact CB-CB 4.3Å; L158-A192 HydrophobicContact CD2-CB 4.08Å; L158-A192 HydrophobicContact CG-CB 3.98Å; L162-A192 HydrophobicContact CD1-CB 4.04Å; D188-A192 WeakPolarHBondContact O-CB 3.34Å; D188-A192 PolarHBondContact O-N 2.93Å; L189-A192 PolarHBondContact O-N 3.39Å; A192-S195 PolarHBondContact O-N 3.07Å; A192-S196 WeakPolarHBondContact O-CB 3.2Å; A192-S196 PolarHBondContact O-N 3.49Å
193L95.6Very high95.4Very high47 Ų4762.8 Ų62.825%0.24633%0.333CS..Hα-helixtrans-66.1-44.7177.5-69.2165.1000112.9L162 M175 L189 Q190 E191 S195 S196 Q197L162-L193 HydrophobicContact CD1-CD2 3.95Å; L162-L193 HydrophobicContact CD1-CG 4.35Å; M175-L193 HydrophobicContact CE-CD1 3.4Å; M175-L193 VanDerWaalsContact CE-CD1 3.4Å; M175-L193 HydrophobicContact CE-CD2 3.41Å; M175-L193 VanDerWaalsContact CE-CD2 3.41Å; M175-L193 HydrophobicContact CE-CG 4.01Å; M175-L193 HydrophobicContact CG-CD2 4.46Å; M175-L193 HydrophobicContact SD-CD2 3.6Å; M175-L193 VanDerWaalsContact SD-CD2 3.6Å; L189-L193 HydrophobicContact CD1-CD1 4.48Å; L189-L193 HydrophobicContact CD1-CG 4.42Å; L189-L193 HydrophobicContact CG-CD1 4.1Å; L189-L193 VanDerWaalsContact O-CG 3.24Å; L189-L193 WeakPolarHBondContact O-CG 3.28Å; L189-L193 PolarHBondContact O-N 2.93Å; Q190-L193 PolarHBondContact O-N 3.33Å; E191-L193 VanDerWaalsContact C-N 3.32Å; E191-L193 PolarHBondContact O-N 3.12Å; L193-S195 PolarHBondContact O-N 3.16Å; L193-S196 PolarHBondContact O-N 3.44Å; L193-Q197 WeakPolarHBondContact O-CG 3.2Å; L193-Q197 PolarHBondContact O-N 2.84Å
194R95.9Very high95.3Very high121 Ų12164.8 Ų64.846%0.45735%0.35SS..Hα-helixtrans-60.7-37.1175.7-71.5-176.8-152.8142.51.4111.5Q190 E191 R198Q190-R194 WeakPolarHBondContact O-CG 3.26Å; Q190-R194 PolarHBondContact O-N 3.28Å; E191-R194 PolarHBondContact O-N 2.93Å; R194-R198 PolarHBondContact O-N 3.35Å; R194-R198 PolarHBondContact O-NE 3.44Å
195S95.3Very high95.2Very high29 Ų2970.4 Ų70.420%0.20338%0.376CS..Hα-helixtrans-69.1-42.6176.2-60.30000111.2E191 A192 L193 Q197 R198 T199E191-S195 WeakPolarHBondContact O-CB 3.2Å; E191-S195 PolarHBondContact O-N 3.26Å; E191-S195 PolarHBondContact O-OG 3.26Å; A192-S195 PolarHBondContact O-N 3.07Å; L193-S195 PolarHBondContact O-N 3.16Å; S195-Q197 PolarHBondContact O-N 3.42Å; S195-R198 WeakPolarHBondContact O-CB 3.46Å; S195-R198 PolarHBondContact O-N 3.49Å; S195-R198 VanDerWaalsContact O-N 3.17Å; S195-R198 PolarHBondContact OG-NH2 3.41Å; S195-T199 PolarHBondContact O-N 3.07Å; S195-T199 PolarHBondContact O-OG1 3.39Å
196S95Very high95Very high8 Ų873.4 Ų73.46%0.05639%0.388CS..Hα-helixtrans-62-40.9176.1177.40000113.2L162 S163 A192 L193 R198 T199 H200L162-S196 VanDerWaalsContact C-OG 3.26Å; L162-S196 PolarHBondContact O-OG 3.18Å; S163-S196 WeakPolarHBondContact CA-OG 3.43Å; S163-S196 PolarHBondContact N-OG 3.06Å; S163-S196 VanDerWaalsContact OG-CA 3.24Å; S163-S196 WeakPolarHBondContact OG-CA 3.49Å; S163-S196 WeakPolarHBondContact OG-CB 3.23Å; S163-S196 PolarHBondContact OG-OG 2.83Å; A192-S196 WeakPolarHBondContact O-CB 3.2Å; A192-S196 PolarHBondContact O-N 3.49Å; L193-S196 PolarHBondContact O-N 3.44Å; S196-R198 VanDerWaalsContact C-N 3.31Å; S196-R198 PolarHBondContact O-N 3.45Å; S196-T199 WeakPolarHBondContact O-CB 3.4Å; S196-T199 PolarHBondContact O-N 2.85Å; S196-H200 PolarHBondContact O-CD2 2.95Å; S196-H200 PolarHBondContact O-N 2.92Å
197Q95.4Very high94.8Very high139 Ų13975 Ų7565%0.6539%0.392SS*.Hα-helixtrans-59.1-41173.7-75.1177.7-28.300112.5L193 S195 H200 A201L193-Q197 WeakPolarHBondContact O-CG 3.2Å; L193-Q197 PolarHBondContact O-N 2.84Å; S195-Q197 PolarHBondContact O-N 3.42Å; Q197-H200 PolarHBondContact O-N 3.35Å; Q197-A201 PolarHBondContact O-N 3.28Å
198R95.2Very high94.6Very high145 Ų14579.1 Ų79.155%0.54740%0.399SS..Hα-helixtrans-63.8-46.6174.8-74.9179.8-81.9169-2.8111.4R194 S195 S196 H200 A201 E202R194-R198 PolarHBondContact O-N 3.35Å; R194-R198 PolarHBondContact O-NE 3.44Å; S195-R198 WeakPolarHBondContact O-CB 3.46Å; S195-R198 PolarHBondContact O-N 3.49Å; S195-R198 VanDerWaalsContact O-N 3.17Å; S195-R198 PolarHBondContact OG-NH2 3.41Å; S196-R198 VanDerWaalsContact C-N 3.31Å; S196-R198 PolarHBondContact O-N 3.45Å; R198-H200 VanDerWaalsContact C-N 3.28Å; R198-H200 PolarHBondContact O-N 3.24Å; R198-A201 WeakPolarHBondContact O-CB 3.32Å; R198-A201 PolarHBondContact O-N 3.04Å; R198-A201 VanDerWaalsContact O-N 3.1Å; R198-E202 WeakPolarHBondContact O-CG 3.46Å; R198-E202 PolarHBondContact O-N 3.01Å
199T94.7Very high94.5Very high50 Ų5077.8 Ų77.831%0.30740%0.4SS..Hα-helixtrans-58.1-39.9175.7-55.80000112.3S163 S195 S196 E202 S203S163-T199 WeakPolarHBondContact OG-CB 3.18Å; S195-T199 PolarHBondContact O-N 3.07Å; S195-T199 PolarHBondContact O-OG1 3.39Å; S196-T199 WeakPolarHBondContact O-CB 3.4Å; S196-T199 PolarHBondContact O-N 2.85Å; T199-E202 PolarHBondContact O-N 3.02Å; T199-S203 VanDerWaalsContact O-CB 3.27Å; T199-S203 WeakPolarHBondContact O-CB 3.36Å; T199-S203 PolarHBondContact O-N 3.38Å; T199-S203 PolarHBondContact O-OG 2.99Å
200H94.6Very high94.2Very high69 Ų6979.8 Ų79.832%0.31942%0.417SS..Hα-helixtrans-66.4-39.5175.9-78.5-50000112.6S163 S196 Q197 R198 S203 A204S163-H200 PolarHBondContact O-CE1 3.2Å; S196-H200 PolarHBondContact O-CD2 2.95Å; S196-H200 PolarHBondContact O-N 2.92Å; Q197-H200 PolarHBondContact O-N 3.35Å; R198-H200 VanDerWaalsContact C-N 3.28Å; R198-H200 PolarHBondContact O-N 3.24Å; H200-S203 PolarHBondContact O-N 2.97Å; H200-A204 WeakPolarHBondContact O-CB 3.35Å; H200-A204 PolarHBondContact O-N 2.91Å
201A95Very high93.8Very high53 Ų5379.3 Ų79.344%0.43841%0.413SS..Hα-helixtrans-62.3-44.4175.200000111.7Q197 R198 A204 Q205Q197-A201 PolarHBondContact O-N 3.28Å; R198-A201 WeakPolarHBondContact O-CB 3.32Å; R198-A201 PolarHBondContact O-N 3.04Å; R198-A201 VanDerWaalsContact O-N 3.1Å; A201-A204 PolarHBondContact O-N 2.97Å; A201-Q205 WeakPolarHBondContact O-CG 3.25Å; A201-Q205 PolarHBondContact O-N 2.87Å; A201-Q205 VanDerWaalsContact O-N 3.14Å
202E94.3Very high93.4Very high109 Ų10981.8 Ų81.851%0.50942%0.422SS..Hα-helixtrans-64.1-42.2175.4-69.3169-172.700111.6R198 T199 A204 Q205 N206R198-E202 WeakPolarHBondContact O-CG 3.46Å; R198-E202 PolarHBondContact O-N 3.01Å; T199-E202 PolarHBondContact O-N 3.02Å; E202-A204 VanDerWaalsContact C-N 3.34Å; E202-A204 PolarHBondContact O-N 3.19Å; E202-Q205 WeakPolarHBondContact O-CB 3.39Å; E202-Q205 PolarHBondContact O-N 2.78Å; E202-N206 VanDerWaalsContact O-CG 3.27Å; E202-N206 PolarHBondContact O-N 3.08Å; E202-N206 PolarHBondContact O-ND2 2.87Å
203S94.2Very high93Very high49 Ų4989 Ų8934%0.34346%0.46SS..Hα-helixtrans-63.3-39.9177.8-63.60000111.8T199 H200 Q205 N206 L207T199-S203 VanDerWaalsContact O-CB 3.27Å; T199-S203 WeakPolarHBondContact O-CB 3.36Å; T199-S203 PolarHBondContact O-N 3.38Å; T199-S203 PolarHBondContact O-OG 2.99Å; H200-S203 PolarHBondContact O-N 2.97Å; S203-Q205 VanDerWaalsContact C-N 3.35Å; S203-N206 PolarHBondContact O-N 3.11Å; S203-L207 WeakPolarHBondContact O-CG 3.39Å; S203-L207 PolarHBondContact O-N 2.94Å
204A93.9Very high92.4Very high46 Ų4691.1 Ų91.138%0.3848%0.475SS..Hα-helixtrans-62.1-42.2174.200000111.7H200 A201 E202 L207 Q208H200-A204 WeakPolarHBondContact O-CB 3.35Å; H200-A204 PolarHBondContact O-N 2.91Å; A201-A204 PolarHBondContact O-N 2.97Å; E202-A204 VanDerWaalsContact C-N 3.34Å; E202-A204 PolarHBondContact O-N 3.19Å; A204-L207 PolarHBondContact O-N 2.83Å; A204-Q208 VanDerWaalsContact O-CG 3.29Å; A204-Q208 WeakPolarHBondContact O-CG 3.43Å; A204-Q208 PolarHBondContact O-N 3.33Å
205Q93.9Very high91.1Very high126 Ų12688.8 Ų88.859%0.58949%0.488SS*.Hα-helixtrans-63.6-43.1175-69.1173.3-1.100111.9A201 E202 S203 L207 Q208 A209A201-Q205 WeakPolarHBondContact O-CG 3.25Å; A201-Q205 PolarHBondContact O-N 2.87Å; A201-Q205 VanDerWaalsContact O-N 3.14Å; E202-Q205 WeakPolarHBondContact O-CB 3.39Å; E202-Q205 PolarHBondContact O-N 2.78Å; S203-Q205 VanDerWaalsContact C-N 3.35Å; Q205-L207 PolarHBondContact O-N 2.64Å; Q205-Q208 PolarHBondContact O-N 3.43Å; Q205-A209 PolarHBondContact O-N 3Å
206N93.1Very high89.3Confident110 Ų11094 Ų9459%0.58851%0.509SS*.Hα-helixtrans-62.8-42177.7-70.1-19.5000111.8E202 S203 A209 A210E202-N206 VanDerWaalsContact O-CG 3.27Å; E202-N206 PolarHBondContact O-N 3.08Å; E202-N206 PolarHBondContact O-ND2 2.87Å; S203-N206 PolarHBondContact O-N 3.11Å; N206-A209 PolarHBondContact O-N 3.07Å; N206-A210 PolarHBondContact O-N 3.25Å
207L91.9Very high87.4Confident126 Ų126102.3 Ų102.366%0.6655%0.547SS*.Hα-helixtrans-65.4-40.8175.5-72.5170.9000112S203 A204 Q205 A209 A210 F211S203-L207 WeakPolarHBondContact O-CG 3.39Å; S203-L207 PolarHBondContact O-N 2.94Å; A204-L207 PolarHBondContact O-N 2.83Å; Q205-L207 PolarHBondContact O-N 2.64Å; L207-A209 VanDerWaalsContact C-N 3.3Å; L207-A209 PolarHBondContact O-N 3.02Å; L207-A210 PolarHBondContact O-N 3.21Å; L207-F211 PolarHBondContact O-N 3.11Å
208Q91.5Very high85.6Confident127 Ų127104.3 Ų104.359%0.59357%0.572SS**Hα-helixtrans-62.2-38.9173.6-73.8174.23.100112.1A204 Q205 F211 K212A204-Q208 VanDerWaalsContact O-CG 3.29Å; A204-Q208 WeakPolarHBondContact O-CG 3.43Å; A204-Q208 PolarHBondContact O-N 3.33Å; Q205-Q208 PolarHBondContact O-N 3.43Å; Q208-F211 PolarHBondContact O-N 3.16Å; Q208-K212 WeakPolarHBondContact O-CG 3.49Å; Q208-K212 PolarHBondContact O-N 3.3Å
209A91Very high85.2Confident53 Ų53102.3 Ų102.344%0.43857%0.573SS.*Hα-helixtrans-65.3-41.4174.400000111.4Q205 N206 L207 F211 K212Q205-A209 PolarHBondContact O-N 3Å; N206-A209 PolarHBondContact O-N 3.07Å; L207-A209 VanDerWaalsContact C-N 3.3Å; L207-A209 PolarHBondContact O-N 3.02Å; A209-F211 VanDerWaalsContact C-N 3.34Å; A209-F211 PolarHBondContact O-N 3.47Å; A209-K212 WeakPolarHBondContact O-CB 3.38Å; A209-K212 PolarHBondContact O-N 3.32Å
210A91Very high84.7Confident46 Ų46105 Ų10538%0.3859%0.588SS.*Hα-helixtrans-62.9-38.5175.700000112.4N206 L207 K212 L213N206-A210 PolarHBondContact O-N 3.25Å; L207-A210 PolarHBondContact O-N 3.21Å; A210-K212 VanDerWaalsContact C-N 3.27Å; A210-K212 PolarHBondContact O-N 2.83Å; A210-L213 VanDerWaalsContact O-CB 3.28Å; A210-L213 WeakPolarHBondContact O-CB 3.5Å; A210-L213 PolarHBondContact O-N 3Å
211F87.4Confident84.1Confident95 Ų95107 Ų10742%0.41760%0.602SS.*Hα-helixtrans-61.4-35.2175.2-164.8-97.9000112.4L207 Q208 A209 L213 T214 E216L207-F211 PolarHBondContact O-N 3.11Å; Q208-F211 PolarHBondContact O-N 3.16Å; A209-F211 VanDerWaalsContact C-N 3.34Å; A209-F211 PolarHBondContact O-N 3.47Å; F211-L213 PolarHBondContact O-N 3.02Å; F211-T214 PolarHBondContact O-N 2.97Å; F211-T214 VanDerWaalsContact O-N 3.07Å; F211-T214 PolarHBondContact O-OG1 2.92Å; F211-E216 WeakPolarHBondContact CD1-O 3.38Å; F211-E216 WeakPolarHBondContact CE1-O 3.46Å; F211-E216 HydrophobicContact CZ-CB 4.45Å
212K87.1Confident83.5Confident167 Ų167110.2 Ų110.273%0.72661%0.612SS**Hα-helixtrans-65.4-21.9174.9-65.2172-175.5178.50112.9Q208 A209 A210 T214Q208-K212 WeakPolarHBondContact O-CG 3.49Å; Q208-K212 PolarHBondContact O-N 3.3Å; A209-K212 WeakPolarHBondContact O-CB 3.38Å; A209-K212 PolarHBondContact O-N 3.32Å; A210-K212 VanDerWaalsContact C-N 3.27Å; A210-K212 PolarHBondContact O-N 2.83Å; K212-T214 VanDerWaalsContact C-N 3.33Å
213L86Confident82.8Confident154 Ų154110.3 Ų110.381%0.80662%0.618SS**Hα-helixtrans-77.8-18.3175.6-57174.7000112.5A210 F211 G215A210-L213 VanDerWaalsContact O-CB 3.28Å; A210-L213 WeakPolarHBondContact O-CB 3.5Å; A210-L213 PolarHBondContact O-N 3Å; F211-L213 PolarHBondContact O-N 3.02Å; L213-G215 VanDerWaalsContact C-N 3.29Å; L213-G215 PolarHBondContact O-N 3.23Å
214T84.3Confident82Confident92 Ų92114.3 Ų114.356%0.56464%0.637SS**THydrogen-bonded Turntrans-86.44.9-178.3600000113.6F211 K212 E216F211-T214 PolarHBondContact O-N 2.97Å; F211-T214 VanDerWaalsContact O-N 3.07Å; F211-T214 PolarHBondContact O-OG1 2.92Å; K212-T214 VanDerWaalsContact C-N 3.33Å; T214-E216 PolarHBondContact O-N 3.24Å; T214-E216 VanDerWaalsContact O-N 3.08Å
215G68.9Low81.2Confident72 Ų72119.2 Ų119.274%0.74266%0.655SS**SBendtrans74.9-9.3171.700000115.7L213L213-G215 VanDerWaalsContact C-N 3.29Å; L213-G215 PolarHBondContact O-N 3.23Å
216E57.4Low80.2Confident137 Ų137118.7 Ų118.764%0.6466%0.66SS**  trans-92.5113.8171-67.8-174.9162.300108.9F211 T214F211-E216 WeakPolarHBondContact CD1-O 3.38Å; F211-E216 WeakPolarHBondContact CE1-O 3.46Å; F211-E216 HydrophobicContact CZ-CB 4.45Å; T214-E216 PolarHBondContact O-N 3.24Å; T214-E216 VanDerWaalsContact O-N 3.08Å
217Q54.1Low79.1Confident184 Ų184119.4 Ų119.486%0.8667%0.666SS**  trans-77.4141160.4-78.1-170.2-30.400108.2
218P58.9Low78Confident180 Ų180118.8 Ų118.8100%1.16967%0.667SS**  trans-61.40174.228-33.7000112.2

Retrieved 218 of 218 residues in 422.1 ms (Link to these results)

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